N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-nitropyrazol-1-yl)propanamide CAS Name: N-[2-[(4-chlorophenyl)thio]phenyl]-3-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-[2-[(4-chlorophenyl)thio]phenyl]-3-(4-nitropyrazol-1-yl)propionamide Formula: C18H15ClN4O3S MolecularWeight: 402.8547

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCN2C=C(C=N2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCN2C=C(C=N2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15ClN4O3S/c19-13-5-7-15(8-6-13)27-17-4-2-1-3-16(17)21-18(24)9-10-22-12-14(11-20-22)23(25)26/h1-8,11-12H,9-10H2,(H,21,24)