2-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid

Systemtic Name: 2-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid Openeye Name: 2-[(E)-(3-cyclohexyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid CAS Name: 2-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid IUPAC Name: 2-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid Traditional Name: 2-[(E)-(3-cyclohexyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid Formula: C16H18N4O2S MolecularWeight: 330.40472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NNC(=S)N2N=CC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=NNC(=S)N2/N=C/C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C16H18N4O2S/c21-15(22)13-9-5-4-8-12(13)10-17-20-14(18-19-16(20)23)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H,19,23)(H,21,22)/b17-10+