2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)butanamide

Systemtic Name: 2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)butanamide Openeye Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-butanamide CAS Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)butanamide IUPAC Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzylbutanamide Traditional Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-benzyl-butyramide Formula: C20H23N5OS MolecularWeight: 381.49452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)SC2=NN=C(N2N)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)SC2=NN=C(N2N)C3=CC=C(C=C3)C

InChI

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