4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzamide

Systemtic Name: 4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzamide Openeye Name: 4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(5-thioxo-1H-1,2,4-triazol-4-yl)benzamide CAS Name: 4-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzamide IUPAC Name: 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzamide Traditional Name: 4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-N-(5-thioxo-1H-1,2,4-triazol-4-yl)benzamide Formula: C14H13BrN6OS MolecularWeight: 393.26162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NN3C=NNC3=S)C)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NN3C=NNC3=S)C)Br

InChI

InChI=1S/C14H13BrN6OS/c1-8-12(15)9(2)21(18-8)11-5-3-10(4-6-11)13(22)19-20-7-16-17-14(20)23/h3-7H,1-2H3,(H,17,23)(H,19,22)