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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)SC2=NN=C(N2C)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)SC2=NN=C(N2C)CC3=CC=CC=C3

InChI

InChI=1S/C20H19N5OS/c1-14(19(26)22-17-10-6-9-16(11-17)13-21)27-20-24-23-18(25(20)2)12-15-7-4-3-5-8-15/h3-11,14H,12H2,1-2H3,(H,22,26)