N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(cyclohexen-1-yl)-N-(2-furylmethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-cyclohexenyl)-N-(2-furanylmethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(cyclohexen-1-yl)-N-(furan-2-ylmethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(cyclohexen-1-yl)-N-(2-furfuryl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)N(CC2=CC=CO2)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=CC1)N(CC2=CC=CO2)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S/c26-19(15-28-21-22-20(23-24-21)16-8-3-1-4-9-16)25(14-18-12-7-13-27-18)17-10-5-2-6-11-17/h1,3-4,7-10,12-13H,2,5-6,11,14-15H2,(H,22,23,24)