2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-phenylpyrrolidin-1-yl)ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=NN=C2SCC(=O)N3CCCC3C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C=NN=C2SCC(=O)N3CCCC3C4=CC=CC=C4

InChI

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