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

Systemtic Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1H-1,2,4-triazol-5-yl)ethanamide Openeye Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1H-1,2,4-triazol-5-yl)acetamide CAS Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(1H-1,2,4-triazol-5-yl)acetamide IUPAC Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1H-1,2,4-triazol-5-yl)acetamide Traditional Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(1H-1,2,4-triazol-5-yl)acetamide Formula: C13H13N7OS MolecularWeight: 315.35362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=NC=NN3

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)NC3=NC=NN3

InChI

InChI=1S/C13H13N7OS/c1-9-17-19-13(20(9)10-5-3-2-4-6-10)22-7-11(21)16-12-14-8-15-18-12/h2-6,8H,7H2,1H3,(H2,14,15,16,18,21)