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

Systemtic Name: 2-[4-(methylamino)phenyl]-3-methylsulfonyl-3-thiophen-2-yl-1H-pyrazole-5-carbonitrile hydrochloride Openeye Name: 2-[4-(methylamino)phenyl]-3-methylsulfonyl-3-(2-thienyl)-1H-pyrazole-5-carbonitrile hydrochloride CAS Name: 2-[4-(methylamino)phenyl]-3-methylsulfonyl-3-thiophen-2-yl-1H-pyrazole-5-carbonitrile hydrochloride IUPAC Name: 2-[4-(methylamino)phenyl]-3-methylsulfonyl-3-thiophen-2-yl-1H-pyrazole-5-carbonitrile hydrochloride Traditional Name: 5-mesyl-1-[4-(methylamino)phenyl]-5-(2-thienyl)-3-pyrazoline-3-carbonitrile hydrochloride Formula: C16H17ClN4O2S2 MolecularWeight: 396.91478

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=C(C=C1)N2C(C=C(N2)C#N)(C3=CC=CS3)S(=O)(=O)C.Cl

Isomeric SMILES

CNC1=CC=C(C=C1)N2C(C=C(N2)C#N)(C3=CC=CS3)S(=O)(=O)C.Cl

InChI

InChI=1S/C16H16N4O2S2.ClH/c1-18-12-5-7-14(8-6-12)20-16(24(2,21)22,10-13(11-17)19-20)15-4-3-9-23-15;/h3-10,18-19H,1-2H3;1H