N-(1H-indol-5-yl)-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enamide

Systemtic Name: N-(1H-indol-5-yl)-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enamide Openeye Name: N-(1H-indol-5-yl)-2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enamide CAS Name: N-(1H-indol-5-yl)-2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-2-propenamide IUPAC Name: N-(1H-indol-5-yl)-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enamide Traditional Name: N-(1H-indol-5-yl)-2-[3-nitro-4-(o-cumenylthio)phenyl]acrylamide Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)NC3=CC4=C(C=C3)NC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)NC3=CC4=C(C=C3)NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H23N3O3S/c1-16(2)21-6-4-5-7-24(21)33-25-11-8-18(15-23(25)29(31)32)17(3)26(30)28-20-9-10-22-19(14-20)12-13-27-22/h4-16,27H,3H2,1-2H3,(H,28,30)