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

Systemtic Name: 2-[[4-butyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[(5-benzyl-4-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-butyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[(5-benzyl-4-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(5-benzyl-4-butyl-1,2,4-triazol-3-yl)thio]-1-pyrrolidino-ethanone Formula: C19H26N4OS MolecularWeight: 358.50094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)N2CCCC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)N2CCCC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H26N4OS/c1-2-3-13-23-17(14-16-9-5-4-6-10-16)20-21-19(23)25-15-18(24)22-11-7-8-12-22/h4-6,9-10H,2-3,7-8,11-15H2,1H3