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

Systemtic Name: N-(cyanomethyl)-N-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyanomethyl)-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-N-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(cyanomethyl)-N-phenyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(cyanomethyl)-N-phenyl-acetamide Formula: C20H18N6OS MolecularWeight: 390.46152

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N(CC#N)C2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N(CC#N)C2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C20H18N6OS/c1-2-13-26-19(16-8-11-22-12-9-16)23-24-20(26)28-15-18(27)25(14-10-21)17-6-4-3-5-7-17/h2-9,11-12H,1,13-15H2