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

Systemtic Name: N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-furylmethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-cyanoethyl)-N-(2-furanylmethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(2-furfuryl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N(CCC#N)CC3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)N(CCC#N)CC3=CC=CO3

InChI

InChI=1S/C18H17N5O2S/c19-9-5-10-23(12-15-8-4-11-25-15)16(24)13-26-18-20-17(21-22-18)14-6-2-1-3-7-14/h1-4,6-8,11H,5,10,12-13H2,(H,20,21,22)