1-methyl-2-(4-methylphenyl)sulfanyl-5-nitro-indole-3-carbaldehyde

Systemtic Name: 1-methyl-2-(4-methylphenyl)sulfanyl-5-nitro-indole-3-carbaldehyde Openeye Name: 1-methyl-5-nitro-2-(p-tolylsulfanyl)indole-3-carbaldehyde CAS Name: 1-methyl-2-[(4-methylphenyl)thio]-5-nitro-3-indolecarboxaldehyde IUPAC Name: 1-methyl-2-(4-methylphenyl)sulfanyl-5-nitroindole-3-carbaldehyde Traditional Name: 1-methyl-5-nitro-2-(p-tolylthio)indole-3-carbaldehyde Formula: C17H14N2O3S MolecularWeight: 326.36966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C3=C(N2C)C=CC(=C3)[N+](=O)[O-])C=O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C3=C(N2C)C=CC(=C3)[N+](=O)[O-])C=O

InChI

InChI=1S/C17H14N2O3S/c1-11-3-6-13(7-4-11)23-17-15(10-20)14-9-12(19(21)22)5-8-16(14)18(17)2/h3-10H,1-2H3