2-[(4-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[(4-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[(4-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(4-butyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[(4-butyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(4-butyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-pyrrolidino-ethanone Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC=CC=C3

InChI

InChI=1S/C18H24N4OS/c1-2-3-13-22-17(15-9-5-4-6-10-15)19-20-18(22)24-14-16(23)21-11-7-8-12-21/h4-6,9-10H,2-3,7-8,11-14H2,1H3