2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C27H29FN4O2S MolecularWeight: 492.608163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H29FN4O2S/c1-5-6-15-31-26(20-7-13-23(34-4)14-8-20)29-30-27(31)35-17-25(33)24-16-18(2)32(19(24)3)22-11-9-21(28)10-12-22/h7-14,16H,5-6,15,17H2,1-4H3