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

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(3,5-dimethylphenyl)acetamide Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CN2C(=NN=C2SCC3=CC=CC=C3)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CN2C(=NN=C2SCC3=CC=CC=C3)N)C

InChI

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