N-[[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]carbamothioyl]benzamide

Systemtic Name: N-[[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]carbamothioyl]benzamide Openeye Name: N-[[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]carbamothioyl]benzamide CAS Name: N-[[[3-(3,5-dimethyl-1-pyrazolyl)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]carbamothioyl]benzamide Traditional Name: N-[[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]benzamide Formula: C16H17N7OS MolecularWeight: 355.41748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(N2NC(=S)NC(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(N2NC(=S)NC(=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C16H17N7OS/c1-10-9-11(2)22(20-10)16-19-18-12(3)23(16)21-15(25)17-14(24)13-7-5-4-6-8-13/h4-9H,1-3H3,(H2,17,21,24,25)