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

Systemtic Name: N-(2-cyanoethyl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: 2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: 2-[[4-allyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-cyanoethyl)-N-methyl-acetamide Formula: C18H21N5O2S MolecularWeight: 371.45664

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NN=C(N1CC=C)C2=CC=C(C=C2)OC

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NN=C(N1CC=C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H21N5O2S/c1-4-11-23-17(14-6-8-15(25-3)9-7-14)20-21-18(23)26-13-16(24)22(2)12-5-10-19/h4,6-9H,1,5,11-13H2,2-3H3