1-[4-(methylamino)phenyl]-5-(4-methylsulfanylphenyl)pyrazole-3-carbonitrile hydrochloride

Systemtic Name: 1-[4-(methylamino)phenyl]-5-(4-methylsulfanylphenyl)pyrazole-3-carbonitrile hydrochloride Openeye Name: 1-[4-(methylamino)phenyl]-5-(4-methylsulfanylphenyl)pyrazole-3-carbonitrile hydrochloride CAS Name: 1-[4-(methylamino)phenyl]-5-[4-(methylthio)phenyl]-3-pyrazolecarbonitrile hydrochloride IUPAC Name: 1-[4-(methylamino)phenyl]-5-(4-methylsulfanylphenyl)pyrazole-3-carbonitrile hydrochloride Traditional Name: 1-[4-(methylamino)phenyl]-5-[4-(methylthio)phenyl]pyrazole-3-carbonitrile hydrochloride Formula: C18H17ClN4S MolecularWeight: 356.87238

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=C(C=C1)N2C(=CC(=N2)C#N)C3=CC=C(C=C3)SC.Cl

Isomeric SMILES

CNC1=CC=C(C=C1)N2C(=CC(=N2)C#N)C3=CC=C(C=C3)SC.Cl

InChI

InChI=1S/C18H16N4S.ClH/c1-20-14-5-7-16(8-6-14)22-18(11-15(12-19)21-22)13-3-9-17(23-2)10-4-13;/h3-11,20H,1-2H3;1H