N-(2-cyanoethyl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-cyanoethyl)acetamide Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NCCC#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NCCC#N

InChI

InChI=1S/C17H19N5O2S/c1-3-11-22-16(13-5-7-14(24-2)8-6-13)20-21-17(22)25-12-15(23)19-10-4-9-18/h3,5-8H,1,4,10-12H2,2H3,(H,19,23)