2-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1SC2=NC3=C(CCCC3)C=C2C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C1SC2=NC3=C(CCCC3)C=C2C#N)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4OS/c1-13-18(20(25)24(23-13)16-8-3-2-4-9-16)26-19-15(12-21)11-14-7-5-6-10-17(14)22-19/h2-4,8-9,11,18H,5-7,10H2,1H3