2-[(S)-(3-chlorophenyl)-(3-oxidanylidene-5-propyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile

Systemtic Name: 2-[(S)-(3-chlorophenyl)-(3-oxidanylidene-5-propyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile Openeye Name: 2-[(S)-(3-chlorophenyl)-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile CAS Name: 2-[(S)-(3-chlorophenyl)-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile IUPAC Name: 2-[(S)-(3-chlorophenyl)-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile Traditional Name: 2-[(S)-(3-chlorophenyl)-(3-keto-5-propyl-3-pyrazolin-4-yl)methyl]malononitrile Formula: C16H15ClN4O MolecularWeight: 314.7695

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)NN1)C(C2=CC(=CC=C2)Cl)C(C#N)C#N

Isomeric SMILES

CCCC1=C(C(=O)NN1)[C@H](C2=CC(=CC=C2)Cl)C(C#N)C#N

InChI

InChI=1S/C16H15ClN4O/c1-2-4-13-15(16(22)21-20-13)14(11(8-18)9-19)10-5-3-6-12(17)7-10/h3,5-7,11,14H,2,4H2,1H3,(H2,20,21,22)/t14-/m1/s1