6-methoxy-3-nitro-2-(phenylmethylsulfanyl)-1H-indole

Systemtic Name: 6-methoxy-3-nitro-2-(phenylmethylsulfanyl)-1H-indole Openeye Name: 2-benzylsulfanyl-6-methoxy-3-nitro-1H-indole CAS Name: 6-methoxy-3-nitro-2-(phenylmethylthio)-1H-indole IUPAC Name: 2-benzylsulfanyl-6-methoxy-3-nitro-1H-indole Traditional Name: 2-(benzylthio)-6-methoxy-3-nitro-1H-indole Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2)SCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2)SCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O3S/c1-21-12-7-8-13-14(9-12)17-16(15(13)18(19)20)22-10-11-5-3-2-4-6-11/h2-9,17H,10H2,1H3