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

Systemtic Name: N-[4-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl]ethanamide Openeye Name: N-[4-[(E)-(3-cyclohexyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl]acetamide CAS Name: N-[4-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl]acetamide IUPAC Name: N-[4-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl]acetamide Traditional Name: N-[4-[(E)-(3-cyclohexyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl]acetamide Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3CCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3CCCCC3

InChI

InChI=1S/C17H21N5OS/c1-12(23)19-15-9-7-13(8-10-15)11-18-22-16(20-21-17(22)24)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,19,23)(H,21,24)/b18-11+