(E)-2-[(2-methyl-1H-indol-3-yl)carbonyl]-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[(2-methyl-1H-indol-3-yl)carbonyl]-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(2-methyl-1H-indole-3-carbonyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enenitrile CAS Name: (E)-2-[(2-methyl-1H-indol-3-yl)-oxomethyl]-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(2-methyl-1H-indole-3-carbonyl)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(2-methyl-1H-indole-3-carbonyl)-3-[3-nitro-4-(2-pyrimidylthio)phenyl]acrylonitrile Formula: C23H15N5O3S MolecularWeight: 441.4619

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(=CC3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)/C(=C/C3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-])/C#N

InChI

InChI=1S/C23H15N5O3S/c1-14-21(17-5-2-3-6-18(17)27-14)22(29)16(13-24)11-15-7-8-20(19(12-15)28(30)31)32-23-25-9-4-10-26-23/h2-12,27H,1H3/b16-11+