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

Systemtic Name: 3-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-nitro-1H-indole Openeye Name: 3-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-nitro-1H-indole CAS Name: 3-[[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-6-nitro-1H-indole IUPAC Name: 3-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-nitro-1H-indole Traditional Name: 3-[[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-6-nitro-1H-indole Formula: C27H25N5O2S MolecularWeight: 483.5847

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N5O2S/c1-27(2,3)20-11-9-18(10-12-20)25-29-30-26(31(25)21-7-5-4-6-8-21)35-17-19-16-28-24-15-22(32(33)34)13-14-23(19)24/h4-16,28H,17H2,1-3H3