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

Systemtic Name: 2-[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[[4-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-propan-1-one Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=NN=C2SC(C)C(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=NN=C2SC(C)C(=O)N3CCCC3

InChI

InChI=1S/C17H22N4OS/c1-12-6-7-13(2)15(10-12)21-11-18-19-17(21)23-14(3)16(22)20-8-4-5-9-20/h6-7,10-11,14H,4-5,8-9H2,1-3H3