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

Systemtic Name: 2-[[4-azanyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethylphenyl)ethanamide Openeye Name: 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide CAS Name: 2-[[4-amino-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(2,4-dimethylphenyl)acetamide IUPAC Name: 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide Traditional Name: 2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)thio]-N-(2,4-dimethylphenyl)acetamide Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2N)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2N)CC3=CC=CC=C3)C

InChI

InChI=1S/C19H21N5OS/c1-13-8-9-16(14(2)10-13)21-18(25)12-26-19-23-22-17(24(19)20)11-15-6-4-3-5-7-15/h3-10H,11-12,20H2,1-2H3,(H,21,25)