N-(2-cyanoethyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxyphenyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxyphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-N-(2-methoxyphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-N-(2-methoxyphenyl)acetamide Formula: C27H23N5O2S MolecularWeight: 481.56882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H23N5O2S/c1-34-23-16-9-8-15-22(23)32(18-10-17-28)24(33)19-35-27-29-25(20-11-4-2-5-12-20)26(30-31-27)21-13-6-3-7-14-21/h2-9,11-16H,10,18-19H2,1H3