3-(cyanomethyl)-5-[[(Z)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]amino]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 3-(cyanomethyl)-5-[[(Z)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]amino]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-(cyanomethyl)-5-[[(Z)-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]amino]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-(cyanomethyl)-5-[[(Z)-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-mercaptomethyl]amino]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-(cyanomethyl)-5-[[(Z)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]amino]-1-phenylpyrazole-4-carbonitrile Traditional Name: 3-(cyanomethyl)-5-[[(Z)-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-mercapto-methyl]amino]-1-phenyl-pyrazole-4-carbonitrile Formula: C19H13N5O2S MolecularWeight: 375.40382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CC#N)C#N)NC(=C3C=CC(=O)C=C3O)S

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CC#N)C#N)N/C(=C/3\C=CC(=O)C=C3O)/S

InChI

InChI=1S/C19H13N5O2S/c20-9-8-16-15(11-21)18(24(23-16)12-4-2-1-3-5-12)22-19(27)14-7-6-13(25)10-17(14)26/h1-7,10,22,26-27H,8H2/b19-14-