(4E)-5-methyl-2-phenyl-4-[(1-phenyl-2,5-dihydro-1,2,3,4-tetrazol-5-yl)sulfanylmethylidene]pyrazol-3-one

Systemtic Name: (4E)-5-methyl-2-phenyl-4-[(1-phenyl-2,5-dihydro-1,2,3,4-tetrazol-5-yl)sulfanylmethylidene]pyrazol-3-one Openeye Name: (4E)-5-methyl-2-phenyl-4-[(1-phenyl-2,5-dihydrotetrazol-5-yl)sulfanylmethylene]pyrazol-3-one CAS Name: (4E)-5-methyl-2-phenyl-4-[[(1-phenyl-2,5-dihydrotetrazol-5-yl)thio]methylidene]-3-pyrazolone IUPAC Name: (4E)-5-methyl-2-phenyl-4-[(1-phenyl-2,5-dihydrotetrazol-5-yl)sulfanylmethylidene]pyrazol-3-one Traditional Name: (4E)-5-methyl-2-phenyl-4-[[(1-phenyl-2,5-dihydrotetrazol-5-yl)thio]methylene]-2-pyrazolin-3-one Formula: C18H16N6OS MolecularWeight: 364.42424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CSC2N=NNN2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/SC2N=NNN2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C18H16N6OS/c1-13-16(17(25)23(20-13)14-8-4-2-5-9-14)12-26-18-19-21-22-24(18)15-10-6-3-7-11-15/h2-12,18H,1H3,(H,19,22)/b16-12+