3-[4-(4-chlorophenyl)sulfanylphenyl]-2-(3-nitrophenyl)prop-2-enenitrile

Systemtic Name: 3-[4-(4-chlorophenyl)sulfanylphenyl]-2-(3-nitrophenyl)prop-2-enenitrile Openeye Name: 3-[4-(4-chlorophenyl)sulfanylphenyl]-2-(3-nitrophenyl)prop-2-enenitrile CAS Name: 3-[4-[(4-chlorophenyl)thio]phenyl]-2-(3-nitrophenyl)-2-propenenitrile IUPAC Name: 3-[4-(4-chlorophenyl)sulfanylphenyl]-2-(3-nitrophenyl)prop-2-enenitrile Traditional Name: 3-[4-[(4-chlorophenyl)thio]phenyl]-2-(3-nitrophenyl)acrylonitrile Formula: C21H13ClN2O2S MolecularWeight: 392.85812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=CC2=CC=C(C=C2)SC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=CC2=CC=C(C=C2)SC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C21H13ClN2O2S/c22-18-6-10-21(11-7-18)27-20-8-4-15(5-9-20)12-17(14-23)16-2-1-3-19(13-16)24(25)26/h1-13H