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

Systemtic Name: 2-[[(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]amino]-1-benzothiophene-3-carbonitrile Openeye Name: 2-[[(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]amino]benzothiophene-3-carbonitrile CAS Name: 2-[[(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]amino]-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[[(E)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]-1-benzothiophene-3-carbonitrile Traditional Name: 2-[[(E)-[1-(3,4-dimethylphenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]amino]benzothiophene-3-carbonitrile Formula: C22H18N4OS MolecularWeight: 386.46952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CNC3=C(C4=CC=CC=C4S3)C#N)C(=N2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)/C(=C/NC3=C(C4=CC=CC=C4S3)C#N)/C(=N2)C)C

InChI

InChI=1S/C22H18N4OS/c1-13-8-9-16(10-14(13)2)26-22(27)19(15(3)25-26)12-24-21-18(11-23)17-6-4-5-7-20(17)28-21/h4-10,12,24H,1-3H3/b19-12+