3-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-nitro-1H-indole

Systemtic Name: 3-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-nitro-1H-indole Openeye Name: 3-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-nitro-1H-indole CAS Name: 3-[[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-6-nitro-1H-indole IUPAC Name: 3-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-nitro-1H-indole Traditional Name: 3-[[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-6-nitro-1H-indole Formula: C23H16ClN5O2S MolecularWeight: 461.92344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CNC4=C3C=CC(=C4)[N+](=O)[O-])C5=CC=CC=C5Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CNC4=C3C=CC(=C4)[N+](=O)[O-])C5=CC=CC=C5Cl

InChI

InChI=1S/C23H16ClN5O2S/c24-20-9-5-4-8-19(20)22-26-27-23(28(22)16-6-2-1-3-7-16)32-14-15-13-25-21-12-17(29(30)31)10-11-18(15)21/h1-13,25H,14H2