4-[1-(4-chlorophenyl)carbonylpyrazol-3-yl]-3-methyl-5-methylsulfanyl-thiophene-2-carbonitrile

Systemtic Name: 4-[1-(4-chlorophenyl)carbonylpyrazol-3-yl]-3-methyl-5-methylsulfanyl-thiophene-2-carbonitrile Openeye Name: 4-[1-(4-chlorobenzoyl)pyrazol-3-yl]-3-methyl-5-methylsulfanyl-thiophene-2-carbonitrile CAS Name: 4-[1-[(4-chlorophenyl)-oxomethyl]-3-pyrazolyl]-3-methyl-5-(methylthio)-2-thiophenecarbonitrile IUPAC Name: 4-[1-(4-chlorobenzoyl)pyrazol-3-yl]-3-methyl-5-methylsulfanylthiophene-2-carbonitrile Traditional Name: 4-[1-(4-chlorobenzoyl)pyrazol-3-yl]-3-methyl-5-(methylthio)thiophene-2-carbonitrile Formula: C17H12ClN3OS2 MolecularWeight: 373.87968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C2=NN(C=C2)C(=O)C3=CC=C(C=C3)Cl)SC)C#N

Isomeric SMILES

CC1=C(SC(=C1C2=NN(C=C2)C(=O)C3=CC=C(C=C3)Cl)SC)C#N

InChI

InChI=1S/C17H12ClN3OS2/c1-10-14(9-19)24-17(23-2)15(10)13-7-8-21(20-13)16(22)11-3-5-12(18)6-4-11/h3-8H,1-2H3