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

Systemtic Name: 3-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-nitro-1H-indole Openeye Name: 3-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-nitro-1H-indole CAS Name: 3-[[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-6-nitro-1H-indole IUPAC Name: 3-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-nitro-1H-indole Traditional Name: 3-[[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-6-nitro-1H-indole Formula: C23H15Cl2N5O2S MolecularWeight: 496.3685

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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=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H15Cl2N5O2S/c24-15-6-8-19(20(25)10-15)22-27-28-23(29(22)16-4-2-1-3-5-16)33-13-14-12-26-21-11-17(30(31)32)7-9-18(14)21/h1-12,26H,13H2