1-(azepan-1-yl)-2-[[5-(phenoxymethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(phenoxymethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-(phenoxymethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(phenoxymethyl)-4-propyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(phenoxymethyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-(phenoxymethyl)-4-propyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)N2CCCCCC2)COC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)N2CCCCCC2)COC3=CC=CC=C3

InChI

InChI=1S/C20H28N4O2S/c1-2-12-24-18(15-26-17-10-6-5-7-11-17)21-22-20(24)27-16-19(25)23-13-8-3-4-9-14-23/h5-7,10-11H,2-4,8-9,12-16H2,1H3