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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CN3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CN3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2S/c1-27-17-11-9-16(10-12-17)25-20(15-6-3-2-4-7-15)23-24-21(25)28-14-19(26)18-8-5-13-22-18/h2-13,22H,14H2,1H3