1-[2-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)carbonyl]pyrazolidin-1-yl]-3-methylsulfanyl-propan-1-one

Systemtic Name: 1-[2-[(5-methyl-2-phenyl-1,2,3-triazol-4-yl)carbonyl]pyrazolidin-1-yl]-3-methylsulfanyl-propan-1-one Openeye Name: 1-[2-(5-methyl-2-phenyl-triazole-4-carbonyl)pyrazolidin-1-yl]-3-methylsulfanyl-propan-1-one CAS Name: 1-[2-[(5-methyl-2-phenyl-4-triazolyl)-oxomethyl]-1-pyrazolidinyl]-3-(methylthio)-1-propanone IUPAC Name: 1-[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-3-methylsulfanylpropan-1-one Traditional Name: 1-[2-(5-methyl-2-phenyl-triazole-4-carbonyl)pyrazolidin-1-yl]-3-(methylthio)propan-1-one Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)N2CCCN2C(=O)CCSC)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(N=C1C(=O)N2CCCN2C(=O)CCSC)C3=CC=CC=C3

InChI

InChI=1S/C17H21N5O2S/c1-13-16(19-22(18-13)14-7-4-3-5-8-14)17(24)21-11-6-10-20(21)15(23)9-12-25-2/h3-5,7-8H,6,9-12H2,1-2H3