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

Systemtic Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-propan-1-one Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SC(C)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SC(C)C(=O)N3CCCC3

InChI

InChI=1S/C16H20N4OS/c1-12-7-3-4-8-14(12)20-11-17-18-16(20)22-13(2)15(21)19-9-5-6-10-19/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3