N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-2-[(phenylmethyl)amino]ethanamide

Systemtic Name: N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-2-[(phenylmethyl)amino]ethanamide Openeye Name: 2-(benzylamino)-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)acetamide CAS Name: N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]-2-[(phenylmethyl)amino]acetamide IUPAC Name: 2-(benzylamino)-N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)acetamide Traditional Name: 2-(benzylamino)-N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]acetamide Formula: C13H17N5OS MolecularWeight: 291.37198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)CNCC2=CC=CC=C2)SC

Isomeric SMILES

CC1=NN=C(N1NC(=O)CNCC2=CC=CC=C2)SC

InChI

InChI=1S/C13H17N5OS/c1-10-15-16-13(20-2)18(10)17-12(19)9-14-8-11-6-4-3-5-7-11/h3-7,14H,8-9H2,1-2H3,(H,17,19)