5-(3-butylsulfanyl-1H-1,2,4-triazol-5-yl)-1-(phenylmethyl)pyrrolidin-2-one

Systemtic Name: 5-(3-butylsulfanyl-1H-1,2,4-triazol-5-yl)-1-(phenylmethyl)pyrrolidin-2-one Openeye Name: 1-benzyl-5-(3-butylsulfanyl-1H-1,2,4-triazol-5-yl)pyrrolidin-2-one CAS Name: 5-[3-(butylthio)-1H-1,2,4-triazol-5-yl]-1-(phenylmethyl)-2-pyrrolidinone IUPAC Name: 1-benzyl-5-(3-butylsulfanyl-1H-1,2,4-triazol-5-yl)pyrrolidin-2-one Traditional Name: 1-benzyl-5-[3-(butylthio)-1H-1,2,4-triazol-5-yl]-2-pyrrolidone Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NNC(=N1)C2CCC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CCCCSC1=NNC(=N1)C2CCC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C17H22N4OS/c1-2-3-11-23-17-18-16(19-20-17)14-9-10-15(22)21(14)12-13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3,(H,18,19,20)