2-[[5-cyclohexyl-4-[(2-oxidanylidenenaphthalen-1-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-cyclohexyl-4-[(2-oxidanylidenenaphthalen-1-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-cyclohexyl-4-[(2-oxo-1-naphthylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-cyclohexyl-4-[(2-oxo-1-naphthalenylidene)methylamino]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-cyclohexyl-4-[(2-oxonaphthalen-1-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-cyclohexyl-4-[(2-keto-1-naphthylidene)methylamino]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2NC=C3C(=O)C=CC4=CC=CC=C43)SCC(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2NC=C3C(=O)C=CC4=CC=CC=C43)SCC(=O)O

InChI

InChI=1S/C21H22N4O3S/c26-18-11-10-14-6-4-5-9-16(14)17(18)12-22-25-20(15-7-2-1-3-8-15)23-24-21(25)29-13-19(27)28/h4-6,9-12,15,22H,1-3,7-8,13H2,(H,27,28)