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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCCC4

InChI

InChI=1S/C21H22N4O2S/c1-27-18-11-9-16(10-12-18)20-22-23-21(25(20)17-7-3-2-4-8-17)28-15-19(26)24-13-5-6-14-24/h2-4,7-12H,5-6,13-15H2,1H3