2,3-bis[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]naphthalene-1,4-dione

Systemtic Name: 2,3-bis[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]naphthalene-1,4-dione Openeye Name: 2,3-bis[[4-ethyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]naphthalene-1,4-dione CAS Name: 2,3-bis[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]naphthalene-1,4-dione IUPAC Name: 2,3-bis[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]naphthalene-1,4-dione Traditional Name: 2,3-bis[[4-ethyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-1,4-naphthoquinone Formula: C32H28N6O2S2 MolecularWeight: 592.73372

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C(=O)C3=CC=CC=C3C2=O)SC4=NN=C(N4CC)C5=CC=C(C=C5)C)C6=CC=C(C=C6)C

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C(=O)C3=CC=CC=C3C2=O)SC4=NN=C(N4CC)C5=CC=C(C=C5)C)C6=CC=C(C=C6)C

InChI

InChI=1S/C32H28N6O2S2/c1-5-37-29(21-15-11-19(3)12-16-21)33-35-31(37)41-27-25(39)23-9-7-8-10-24(23)26(40)28(27)42-32-36-34-30(38(32)6-2)22-17-13-20(4)14-18-22/h7-18H,5-6H2,1-4H3