2-[[(E)-[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[[(E)-[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]-1-benzothiophene-3-carbonitrile Openeye Name: 2-[[(E)-[1-(4-chlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]amino]benzothiophene-3-carbonitrile CAS Name: 2-[[(E)-[1-(4-chlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]amino]-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[[(E)-[1-(4-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]-1-benzothiophene-3-carbonitrile Traditional Name: 2-[[(E)-[1-(4-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]amino]benzothiophene-3-carbonitrile Formula: C20H13ClN4OS MolecularWeight: 392.86142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=C(C3=CC=CC=C3S2)C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NC2=C(C3=CC=CC=C3S2)C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H13ClN4OS/c1-12-17(20(26)25(24-12)14-8-6-13(21)7-9-14)11-23-19-16(10-22)15-4-2-3-5-18(15)27-19/h2-9,11,23H,1H3/b17-11+