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

Systemtic Name: 5-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-1-(phenylmethyl)pyrrolidin-2-one Openeye Name: 1-benzyl-5-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)pyrrolidin-2-one CAS Name: 5-[3-(ethylthio)-1H-1,2,4-triazol-5-yl]-1-(phenylmethyl)-2-pyrrolidinone IUPAC Name: 1-benzyl-5-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)pyrrolidin-2-one Traditional Name: 1-benzyl-5-[3-(ethylthio)-1H-1,2,4-triazol-5-yl]-2-pyrrolidone Formula: C15H18N4OS MolecularWeight: 302.39462

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NNC(=N1)C2CCC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CCSC1=NNC(=N1)C2CCC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C15H18N4OS/c1-2-21-15-16-14(17-18-15)12-8-9-13(20)19(12)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,16,17,18)