(3-chloranyl-1-benzothiophen-2-yl)-[3,5-dimethyl-4-(4-methylphenyl)sulfanyl-pyrazol-1-yl]methanone

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)-[3,5-dimethyl-4-(4-methylphenyl)sulfanyl-pyrazol-1-yl]methanone Openeye Name: (3-chlorobenzothiophen-2-yl)-[3,5-dimethyl-4-(p-tolylsulfanyl)pyrazol-1-yl]methanone CAS Name: (3-chloro-1-benzothiophen-2-yl)-[3,5-dimethyl-4-[(4-methylphenyl)thio]-1-pyrazolyl]methanone IUPAC Name: (3-chloro-1-benzothiophen-2-yl)-[3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazol-1-yl]methanone Traditional Name: (3-chlorobenzothiophen-2-yl)-[3,5-dimethyl-4-(p-tolylthio)pyrazol-1-yl]methanone Formula: C21H17ClN2OS2 MolecularWeight: 412.95548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(=O)C3=C(C4=CC=CC=C4S3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(=O)C3=C(C4=CC=CC=C4S3)Cl)C

InChI

InChI=1S/C21H17ClN2OS2/c1-12-8-10-15(11-9-12)26-19-13(2)23-24(14(19)3)21(25)20-18(22)16-6-4-5-7-17(16)27-20/h4-11H,1-3H3