4-[(E)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]morpholine-2-carbonitrile

Systemtic Name: 4-[(E)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]morpholine-2-carbonitrile Openeye Name: 4-[(E)-3-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]morpholine-2-carbonitrile CAS Name: 4-[(E)-3-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-oxoprop-2-enyl]-2-morpholinecarbonitrile IUPAC Name: 4-[(E)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enoyl]morpholine-2-carbonitrile Traditional Name: 4-[(E)-3-[3-nitro-4-(o-cumenylthio)phenyl]acryloyl]morpholine-2-carbonitrile Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C=CC(=O)N3CCOC(C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)/C=C/C(=O)N3CCOC(C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O4S/c1-16(2)19-5-3-4-6-21(19)31-22-9-7-17(13-20(22)26(28)29)8-10-23(27)25-11-12-30-18(14-24)15-25/h3-10,13,16,18H,11-12,15H2,1-2H3/b10-8+