(Z)-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-2-morpholin-4-ylcarbonyl-prop-2-enenitrile

Systemtic Name: (Z)-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-2-morpholin-4-ylcarbonyl-prop-2-enenitrile Openeye Name: (Z)-2-(morpholine-4-carbonyl)-3-[3-nitro-4-(p-tolylsulfanyl)phenyl]prop-2-enenitrile CAS Name: (Z)-3-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-2-[4-morpholinyl(oxo)methyl]-2-propenenitrile IUPAC Name: (Z)-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-2-(morpholine-4-carbonyl)prop-2-enenitrile Traditional Name: (Z)-2-(morpholine-4-carbonyl)-3-[3-nitro-4-(p-tolylthio)phenyl]acrylonitrile Formula: C21H19N3O4S MolecularWeight: 409.45826

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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)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=C(/C#N)\C(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4S/c1-15-2-5-18(6-3-15)29-20-7-4-16(13-19(20)24(26)27)12-17(14-22)21(25)23-8-10-28-11-9-23/h2-7,12-13H,8-11H2,1H3/b17-12-