5-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-pentan-1-one

Systemtic Name: 5-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-pentan-1-one Openeye Name: 5-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-pentan-1-one CAS Name: 5-[[4-(4-methoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)-1-pentanone IUPAC Name: 5-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylpentan-1-one Traditional Name: 5-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-pentan-1-one Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)N3CCCC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCCCCC(=O)N3CCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2S/c1-31-22-14-12-21(13-15-22)29-23(19-20-9-3-2-4-10-20)26-27-25(29)32-18-8-5-11-24(30)28-16-6-7-17-28/h2-4,9-10,12-15H,5-8,11,16-19H2,1H3