2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(cyanomethyl)phenyl]ethanamide

Systemtic Name: 2-[(4-azanyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(cyanomethyl)phenyl]ethanamide Openeye Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-N-[4-(cyanomethyl)phenyl]acetamide IUPAC Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide Traditional Name: 2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)thio]-N-[4-(cyanomethyl)phenyl]acetamide Formula: C13H14N6OS MolecularWeight: 302.35486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CC1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C13H14N6OS/c1-9-17-18-13(19(9)15)21-8-12(20)16-11-4-2-10(3-5-11)6-7-14/h2-5H,6,8,15H2,1H3,(H,16,20)