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

Systemtic Name: 3-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Openeye Name: 3-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]tetrahydrofuran-2-one CAS Name: 3-[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-2-oxolanone IUPAC Name: 3-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Traditional Name: 3-[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]tetrahydrofuran-2-one Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SC3CCOC3=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SC3CCOC3=O)N4CCCC4

InChI

InChI=1S/C17H20N4O2S/c1-12-4-6-13(7-5-12)21-16(20-9-2-3-10-20)18-19-17(21)24-14-8-11-23-15(14)22/h4-7,14H,2-3,8-11H2,1H3