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

Systemtic Name: 2-[[4-butyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[(5-benzyl-4-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[4-butyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[(5-benzyl-4-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 2-[(5-benzyl-4-butyl-1,2,4-triazol-3-yl)thio]-1-morpholino-ethanone Formula: C19H26N4O2S MolecularWeight: 374.50034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)N2CCOCC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)N2CCOCC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H26N4O2S/c1-2-3-9-23-17(14-16-7-5-4-6-8-16)20-21-19(23)26-15-18(24)22-10-12-25-13-11-22/h4-8H,2-3,9-15H2,1H3