5-methoxy-2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-3-phenylsulfanyl-1H-indole

Systemtic Name: 5-methoxy-2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-3-phenylsulfanyl-1H-indole Openeye Name: 5-methoxy-2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)vinyl]-3-phenylsulfanyl-1H-indole CAS Name: 5-methoxy-2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-3-(phenylthio)-1H-indole IUPAC Name: 5-methoxy-2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-3-phenylsulfanyl-1H-indole Traditional Name: 5-methoxy-2-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)vinyl]-3-(phenylthio)-1H-indole Formula: C24H18N2O5S MolecularWeight: 446.47512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=C2SC3=CC=CC=C3)C=CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=C2SC3=CC=CC=C3)/C=C/C4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C24H18N2O5S/c1-29-16-8-10-19-18(12-16)24(32-17-5-3-2-4-6-17)20(25-19)9-7-15-11-22-23(31-14-30-22)13-21(15)26(27)28/h2-13,25H,14H2,1H3/b9-7+