1,3-dimethyl-5-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]benzimidazol-2-one

Systemtic Name: 1,3-dimethyl-5-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]benzimidazol-2-one Openeye Name: 1,3-dimethyl-5-[[(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methyl]benzimidazol-2-one CAS Name: 1,3-dimethyl-5-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]-2-benzimidazolone IUPAC Name: 1,3-dimethyl-5-[[(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)amino]methyl]benzimidazol-2-one Traditional Name: 1,3-dimethyl-5-[[(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methyl]benzimidazol-2-one Formula: C13H16N6OS MolecularWeight: 304.37074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1NCC2=CC3=C(C=C2)N(C(=O)N3C)C

Isomeric SMILES

CC1=NNC(=S)N1NCC2=CC3=C(C=C2)N(C(=O)N3C)C

InChI

InChI=1S/C13H16N6OS/c1-8-15-16-12(21)19(8)14-7-9-4-5-10-11(6-9)18(3)13(20)17(10)2/h4-6,14H,7H2,1-3H3,(H,16,21)