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

Systemtic Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-propan-1-one Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NN=CN2C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C(=O)N1CCCC1)SC2=NN=CN2C3=CC(=CC=C3)OC

InChI

InChI=1S/C16H20N4O2S/c1-12(15(21)19-8-3-4-9-19)23-16-18-17-11-20(16)13-6-5-7-14(10-13)22-2/h5-7,10-12H,3-4,8-9H2,1-2H3