N-(3-cyanophenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(3-cyanophenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(3-cyanophenyl)-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(3-cyanophenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(3-cyanophenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(3-cyanophenyl)-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)SC(C)C(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SC(C)C(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H19N5OS/c1-13-7-9-16(10-8-13)18-23-24-20(25(18)3)27-14(2)19(26)22-17-6-4-5-15(11-17)12-21/h4-11,14H,1-3H3,(H,22,26)