5-nitro-3-(2-piperazin-1-ylphenyl)sulfanyl-1H-indole

Systemtic Name: 5-nitro-3-(2-piperazin-1-ylphenyl)sulfanyl-1H-indole Openeye Name: 5-nitro-3-(2-piperazin-1-ylphenyl)sulfanyl-1H-indole CAS Name: 5-nitro-3-[[2-(1-piperazinyl)phenyl]thio]-1H-indole IUPAC Name: 5-nitro-3-(2-piperazin-1-ylphenyl)sulfanyl-1H-indole Traditional Name: 5-nitro-3-[(2-piperazinophenyl)thio]-1H-indole Formula: C18H18N4O2S MolecularWeight: 354.42612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC=C2SC3=CNC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=CC=CC=C2SC3=CNC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O2S/c23-22(24)13-5-6-15-14(11-13)18(12-20-15)25-17-4-2-1-3-16(17)21-9-7-19-8-10-21/h1-6,11-12,19-20H,7-10H2