(E)-2-(1-ethyl-2-phenyl-indol-3-yl)carbonyl-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1-ethyl-2-phenyl-indol-3-yl)carbonyl-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1-ethyl-2-phenyl-indole-3-carbonyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enenitrile CAS Name: (E)-2-[(1-ethyl-2-phenyl-3-indolyl)-oxomethyl]-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(1-ethyl-2-phenylindole-3-carbonyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1-ethyl-2-phenyl-indole-3-carbonyl)-3-[3-nitro-4-(2-pyrimidylthio)phenyl]acrylonitrile Formula: C30H21N5O3S MolecularWeight: 531.58444

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)C(=CC4=CC(=C(C=C4)SC5=NC=CC=N5)[N+](=O)[O-])C#N

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)/C(=C/C4=CC(=C(C=C4)SC5=NC=CC=N5)[N+](=O)[O-])/C#N

InChI

InChI=1S/C30H21N5O3S/c1-2-34-24-12-7-6-11-23(24)27(28(34)21-9-4-3-5-10-21)29(36)22(19-31)17-20-13-14-26(25(18-20)35(37)38)39-30-32-15-8-16-33-30/h3-18H,2H2,1H3/b22-17+