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

Systemtic Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C25H26N4O2S/c1-5-18-6-8-19(9-7-18)24-26-25(28-27-24)32-15-23(30)22-14-16(2)29(17(22)3)20-10-12-21(31-4)13-11-20/h6-14H,5,15H2,1-4H3,(H,26,27,28)