5-azanyl-1-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]pyrazole-4-carbonitrile CAS Name: 5-amino-1-[[4-[[(4-chlorophenyl)thio]methyl]phenyl]-oxomethyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-[4-[[(4-chlorophenyl)thio]methyl]benzoyl]pyrazole-4-carbonitrile Formula: C18H13ClN4OS MolecularWeight: 368.84002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)C(=O)N3C(=C(C=N3)C#N)N

Isomeric SMILES

C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)C(=O)N3C(=C(C=N3)C#N)N

InChI

InChI=1S/C18H13ClN4OS/c19-15-5-7-16(8-6-15)25-11-12-1-3-13(4-2-12)18(24)23-17(21)14(9-20)10-22-23/h1-8,10H,11,21H2