3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-2-pyrrolidin-1-ylcarbonyl-prop-2-enenitrile

Systemtic Name: 3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-2-pyrrolidin-1-ylcarbonyl-prop-2-enenitrile Openeye Name: 3-[3-nitro-4-(p-tolylsulfanyl)phenyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile CAS Name: 3-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-2-[oxo(1-pyrrolidinyl)methyl]-2-propenenitrile IUPAC Name: 3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile Traditional Name: 3-[3-nitro-4-(p-tolylthio)phenyl]-2-(pyrrolidine-1-carbonyl)acrylonitrile Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=C(C#N)C(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=C(C#N)C(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O3S/c1-15-4-7-18(8-5-15)28-20-9-6-16(13-19(20)24(26)27)12-17(14-22)21(25)23-10-2-3-11-23/h4-9,12-13H,2-3,10-11H2,1H3