2-(4-chlorophenyl)sulfanyl-5,6-dimethoxy-3-nitro-1H-indole

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-5,6-dimethoxy-3-nitro-1H-indole Openeye Name: 2-(4-chlorophenyl)sulfanyl-5,6-dimethoxy-3-nitro-1H-indole CAS Name: 2-[(4-chlorophenyl)thio]-5,6-dimethoxy-3-nitro-1H-indole IUPAC Name: 2-(4-chlorophenyl)sulfanyl-5,6-dimethoxy-3-nitro-1H-indole Traditional Name: 2-[(4-chlorophenyl)thio]-5,6-dimethoxy-3-nitro-1H-indole Formula: C16H13ClN2O4S MolecularWeight: 364.80342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C16H13ClN2O4S/c1-22-13-7-11-12(8-14(13)23-2)18-16(15(11)19(20)21)24-10-5-3-9(17)4-6-10/h3-8,18H,1-2H3