1-(azepan-1-yl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(azepan-1-yl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(1-azepanyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(azepan-1-yl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C19H26N4O2S MolecularWeight: 374.50034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NN=C(N2C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SC2=NN=C(N2C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H26N4O2S/c1-14(18(24)23-12-6-4-5-7-13-23)26-19-21-20-17(22(19)2)15-8-10-16(25-3)11-9-15/h8-11,14H,4-7,12-13H2,1-3H3