1-(1H-indol-3-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanone

Systemtic Name: 1-(1H-indol-3-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanone Openeye Name: 1-(1H-indol-3-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanone CAS Name: 1-(1H-indol-3-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-2-phenylethanone IUPAC Name: 1-(1H-indol-3-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylethanone Traditional Name: 1-(1H-indol-3-yl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-2-phenyl-ethanone Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SC(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SC(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C25H20N4O2S/c1-31-18-13-11-17(12-14-18)24-27-25(29-28-24)32-23(16-7-3-2-4-8-16)22(30)20-15-26-21-10-6-5-9-19(20)21/h2-15,23,26H,1H3,(H,27,28,29)