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

Systemtic Name: 3-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-nitro-1H-indole Openeye Name: 3-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-nitro-1H-indole CAS Name: 3-[[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-6-nitro-1H-indole IUPAC Name: 3-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-nitro-1H-indole Traditional Name: 3-[[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-6-nitro-1H-indole Formula: C24H19N5O3S MolecularWeight: 457.50436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CNC5=C4C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CNC5=C4C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H19N5O3S/c1-32-20-10-7-16(8-11-20)23-26-27-24(28(23)18-5-3-2-4-6-18)33-15-17-14-25-22-13-19(29(30)31)9-12-21(17)22/h2-14,25H,15H2,1H3