4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-butan-1-one

Systemtic Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-butan-1-one Openeye Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-butan-1-one CAS Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(1-pyrrolidinyl)-1-butanone IUPAC Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylbutan-1-one Traditional Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-pyrrolidino-butan-1-one Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCCC(=O)N2CCCC2)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCCCC(=O)N2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C18H24N4OS/c1-2-22-17(15-9-4-3-5-10-15)19-20-18(22)24-14-8-11-16(23)21-12-6-7-13-21/h3-5,9-10H,2,6-8,11-14H2,1H3