N-[(E)-[5-chloranyl-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-1-benzothiophene-3-carboxamide

Systemtic Name: N-[(E)-[5-chloranyl-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-1-benzothiophene-3-carboxamide Openeye Name: N-[(E)-[5-chloro-3-methyl-1-(p-tolyl)pyrazol-4-yl]methyleneamino]benzothiophene-3-carboxamide CAS Name: N-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)-4-pyrazolyl]methylideneamino]-1-benzothiophene-3-carboxamide IUPAC Name: N-[(E)-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]methylideneamino]-1-benzothiophene-3-carboxamide Traditional Name: N-[(E)-[5-chloro-3-methyl-1-(p-tolyl)pyrazol-4-yl]methyleneamino]benzothiophene-3-carboxamide Formula: C21H17ClN4OS MolecularWeight: 408.90388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)C=NNC(=O)C3=CSC4=CC=CC=C43)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)/C=N/NC(=O)C3=CSC4=CC=CC=C43)Cl

InChI

InChI=1S/C21H17ClN4OS/c1-13-7-9-15(10-8-13)26-20(22)17(14(2)25-26)11-23-24-21(27)18-12-28-19-6-4-3-5-16(18)19/h3-12H,1-2H3,(H,24,27)/b23-11+