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

Systemtic Name: 2-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Openeye Name: 2-[(E)-(3-cyclohexyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate CAS Name: 2-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate IUPAC Name: 2-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Traditional Name: 2-[(E)-(3-cyclohexyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Formula: C16H17N4O2S- MolecularWeight: 329.39678

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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)/p-1/b17-10+