3-methyl-1-phenyl-5-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl]pyrazole-4-carbonitrile

Systemtic Name: 3-methyl-1-phenyl-5-[[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]methyl]pyrazole-4-carbonitrile Openeye Name: 3-methyl-1-phenyl-5-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]pyrazole-4-carbonitrile CAS Name: 3-methyl-1-phenyl-5-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-1-phenyl-5-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]pyrazole-4-carbonitrile Traditional Name: 3-methyl-1-phenyl-5-[(1,1,3-triketo-1,2-benzothiazol-2-yl)methyl]pyrazole-4-carbonitrile Formula: C19H14N4O3S MolecularWeight: 378.40446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=CC=CC=C4

InChI

InChI=1S/C19H14N4O3S/c1-13-16(11-20)17(23(21-13)14-7-3-2-4-8-14)12-22-19(24)15-9-5-6-10-18(15)27(22,25)26/h2-10H,12H2,1H3