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

Systemtic Name: N-(cyanomethyl)-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C25H21N5O2S MolecularWeight: 455.53154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N(CC#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N(CC#N)C4=CC=CC=C4

InChI

InChI=1S/C25H21N5O2S/c1-32-22-14-8-9-19(17-22)24-27-28-25(30(24)21-12-6-3-7-13-21)33-18-23(31)29(16-15-26)20-10-4-2-5-11-20/h2-14,17H,16,18H2,1H3