2,2-bis[[(6Z)-4-azanyl-5-oxidanylidene-6-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)ethylidene]-1H-1,2,4-triazin-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2,2-bis[[(6Z)-4-azanyl-5-oxidanylidene-6-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)ethylidene]-1H-1,2,4-triazin-3-yl]sulfanyl]ethanoic acid Openeye Name: 2,2-bis[[(6Z)-4-amino-5-oxo-6-[(2E)-2-(2-oxo-1-naphthylidene)ethylidene]-1H-1,2,4-triazin-3-yl]sulfanyl]acetic acid CAS Name: 2,2-bis[[(6Z)-4-amino-5-oxo-6-[(2E)-2-(2-oxo-1-naphthalenylidene)ethylidene]-1H-1,2,4-triazin-3-yl]thio]acetic acid IUPAC Name: 2,2-bis[[(6Z)-4-amino-5-oxo-6-[(2E)-2-(2-oxonaphthalen-1-ylidene)ethylidene]-1H-1,2,4-triazin-3-yl]sulfanyl]acetic acid Traditional Name: 2,2-bis[[(6Z)-4-amino-5-keto-6-[(2E)-2-(2-keto-1-naphthylidene)ethylidene]-1H-1,2,4-triazin-3-yl]thio]acetic acid Formula: C32H24N8O6S2 MolecularWeight: 680.71296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=O)C2=CC=C3C(=O)N(C(=NN3)SC(C(=O)O)SC4=NNC(=CC=C5C(=O)C=CC6=CC=CC=C65)C(=O)N4N)N

Isomeric SMILES

C1=CC=C2/C(=C\C=C\3/NN=C(N(C3=O)N)SC(SC4=NN/C(=C\C=C\5/C6=CC=CC=C6C=CC5=O)/C(=O)N4N)C(=O)O)/C(=O)C=CC2=C1

InChI

InChI=1S/C32H24N8O6S2/c33-39-27(43)23(13-11-21-19-7-3-1-5-17(19)9-15-25(21)41)35-37-31(39)47-30(29(45)46)48-32-38-36-24(28(44)40(32)34)14-12-22-20-8-4-2-6-18(20)10-16-26(22)42/h1-16,30,35-36H,33-34H2,(H,45,46)/b21-11+,22-12+,23-13-,24-14-