5-ethoxy-2-(4-methylphenyl)sulfanyl-3-nitro-1H-indole

Systemtic Name: 5-ethoxy-2-(4-methylphenyl)sulfanyl-3-nitro-1H-indole Openeye Name: 5-ethoxy-3-nitro-2-(p-tolylsulfanyl)-1H-indole CAS Name: 5-ethoxy-2-[(4-methylphenyl)thio]-3-nitro-1H-indole IUPAC Name: 5-ethoxy-2-(4-methylphenyl)sulfanyl-3-nitro-1H-indole Traditional Name: 5-ethoxy-3-nitro-2-(p-tolylthio)-1H-indole Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=C2[N+](=O)[O-])SC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=C2[N+](=O)[O-])SC3=CC=C(C=C3)C

InChI

InChI=1S/C17H16N2O3S/c1-3-22-12-6-9-15-14(10-12)16(19(20)21)17(18-15)23-13-7-4-11(2)5-8-13/h4-10,18H,3H2,1-2H3