N-[3-(2-cyclohexylethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]pyridine-4-carboxamide

Systemtic Name: N-[3-(2-cyclohexylethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]pyridine-4-carboxamide Openeye Name: N-[3-(2-cyclohexylethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]pyridine-4-carboxamide CAS Name: N-[3-(2-cyclohexylethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-4-pyridinecarboxamide IUPAC Name: N-[3-(2-cyclohexylethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]pyridine-4-carboxamide Traditional Name: N-[3-(2-cyclohexylethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]isonicotinamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC2=NNC(=S)N2NC(=O)C3=CC=NC=C3

Isomeric SMILES

C1CCC(CC1)CCC2=NNC(=S)N2NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C16H21N5OS/c22-15(13-8-10-17-11-9-13)20-21-14(18-19-16(21)23)7-6-12-4-2-1-3-5-12/h8-12H,1-7H2,(H,19,23)(H,20,22)