1,5-dimethyl-2-phenyl-4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-(5-thioxo-2H-tetrazol-1-yl)pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-(5-sulfanylidene-2H-tetrazol-1-yl)-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-(5-sulfanylidene-2H-tetrazol-1-yl)pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-(5-thioxo-2H-tetrazol-1-yl)-3-pyrazolin-3-one Formula: C12H12N6OS MolecularWeight: 288.32828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=S)N=NN3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=S)N=NN3

InChI

InChI=1S/C12H12N6OS/c1-8-10(17-12(20)13-14-15-17)11(19)18(16(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,15,20)