N-(cyanomethyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-ethanamide

Systemtic Name: N-(cyanomethyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyanomethyl)-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide Traditional Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(cyanomethyl)-N-phenyl-acetamide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N(CC#N)C2=CC=CC=C2)C3CC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N(CC#N)C2=CC=CC=C2)C3CC3

InChI

InChI=1S/C18H19N5OS/c1-2-11-23-17(14-8-9-14)20-21-18(23)25-13-16(24)22(12-10-19)15-6-4-3-5-7-15/h2-7,14H,1,8-9,11-13H2