2-[[5-cyclohexyl-4-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-cyclohexyl-4-[(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-cyclohexyl-4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-cyclohexyl-4-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-cyclohexyl-4-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyclohexyl-4-[(6-ketocyclohexa-2,4-dien-1-ylidene)methylamino]-1,2,4-triazol-3-yl]thio]acetate Formula: C17H19N4O3S- MolecularWeight: 359.42276

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2NC=C3C=CC=CC3=O)SCC(=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2NC=C3C=CC=CC3=O)SCC(=O)[O-]

InChI

InChI=1S/C17H20N4O3S/c22-14-9-5-4-8-13(14)10-18-21-16(12-6-2-1-3-7-12)19-20-17(21)25-11-15(23)24/h4-5,8-10,12,18H,1-3,6-7,11H2,(H,23,24)/p-1