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

Systemtic Name: 1-(azepan-1-yl)-2-[[4-(2-methoxyethyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[4-(2-methoxyethyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[4-(2-methoxyethyl)-5-phenethyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[4-(2-methoxyethyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[4-(2-methoxyethyl)-5-phenethyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC(=O)N2CCCCCC2)CCC3=CC=CC=C3

Isomeric SMILES

COCCN1C(=NN=C1SCC(=O)N2CCCCCC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H30N4O2S/c1-27-16-15-25-19(12-11-18-9-5-4-6-10-18)22-23-21(25)28-17-20(26)24-13-7-2-3-8-14-24/h4-6,9-10H,2-3,7-8,11-17H2,1H3