N-(2-cyanoethyl)-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide

Systemtic Name: N-(2-cyanoethyl)-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: N-(2-cyanoethyl)-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide CAS Name: N-(2-cyanoethyl)-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenylpropanamide IUPAC Name: N-(2-cyanoethyl)-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide Traditional Name: N-(2-cyanoethyl)-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenyl-propionamide Formula: C27H25N5O2S MolecularWeight: 483.5847

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C27H25N5O2S/c1-20(26(33)31(18-10-17-28)22-12-5-3-6-13-22)35-27-30-29-25(21-11-9-16-24(19-21)34-2)32(27)23-14-7-4-8-15-23/h3-9,11-16,19-20H,10,18H2,1-2H3