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

Systemtic Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-propan-1-one Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC(C(=O)N1CCCC1)SC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C22H24N4O2S/c1-16(21(27)25-13-6-7-14-25)29-22-24-23-20(17-9-8-12-19(15-17)28-2)26(22)18-10-4-3-5-11-18/h3-5,8-12,15-16H,6-7,13-14H2,1-2H3