3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3-methyl-4-propan-2-yl-phenyl)benzamide

Systemtic Name: 3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3-methyl-4-propan-2-yl-phenyl)benzamide Openeye Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-isopropyl-3-methyl-phenyl)benzamide CAS Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(3-methyl-4-propan-2-ylphenyl)benzamide IUPAC Name: 3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(3-methyl-4-propan-2-ylphenyl)benzamide Traditional Name: 3-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(4-isopropyl-3-methyl-phenyl)benzamide Formula: C20H23N5OS MolecularWeight: 381.49452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)CSC3=NNC(=N3)N)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)CSC3=NNC(=N3)N)C(C)C

InChI

InChI=1S/C20H23N5OS/c1-12(2)17-8-7-16(9-13(17)3)22-18(26)15-6-4-5-14(10-15)11-27-20-23-19(21)24-25-20/h4-10,12H,11H2,1-3H3,(H,22,26)(H3,21,23,24,25)