1-[4-(methylamino)phenyl]-5-(5-methylsulfonylthiophen-2-yl)pyrazole-3-carbonitrile hydrochloride

Systemtic Name: 1-[4-(methylamino)phenyl]-5-(5-methylsulfonylthiophen-2-yl)pyrazole-3-carbonitrile hydrochloride Openeye Name: 1-[4-(methylamino)phenyl]-5-(5-methylsulfonyl-2-thienyl)pyrazole-3-carbonitrile hydrochloride CAS Name: 1-[4-(methylamino)phenyl]-5-(5-methylsulfonyl-2-thiophenyl)-3-pyrazolecarbonitrile hydrochloride IUPAC Name: 1-[4-(methylamino)phenyl]-5-(5-methylsulfonylthiophen-2-yl)pyrazole-3-carbonitrile hydrochloride Traditional Name: 5-(5-mesyl-2-thienyl)-1-[4-(methylamino)phenyl]pyrazole-3-carbonitrile hydrochloride Formula: C16H15ClN4O2S2 MolecularWeight: 394.8989

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=C(C=C1)N2C(=CC(=N2)C#N)C3=CC=C(S3)S(=O)(=O)C.Cl

Isomeric SMILES

CNC1=CC=C(C=C1)N2C(=CC(=N2)C#N)C3=CC=C(S3)S(=O)(=O)C.Cl

InChI

InChI=1S/C16H14N4O2S2.ClH/c1-18-11-3-5-13(6-4-11)20-14(9-12(10-17)19-20)15-7-8-16(23-15)24(2,21)22;/h3-9,18H,1-2H3;1H