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

Systemtic Name: (2R)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: (2R)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: (2R)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: (2R)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: (2R)-2-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-propan-1-one Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NN=C(N2C)C3=CC(=CC=C3)OC

Isomeric SMILES

C[C@H](C(=O)N1CCCC1)SC2=NN=C(N2C)C3=CC(=CC=C3)OC

InChI

InChI=1S/C17H22N4O2S/c1-12(16(22)21-9-4-5-10-21)24-17-19-18-15(20(17)2)13-7-6-8-14(11-13)23-3/h6-8,11-12H,4-5,9-10H2,1-3H3/t12-/m1/s1