1-(azepan-1-yl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propan-1-one Formula: C19H26N4O2S MolecularWeight: 374.50034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N3CCCCCC3

InChI

InChI=1S/C19H26N4O2S/c1-2-25-16-9-7-15(8-10-16)18-20-21-19(26)23(18)14-11-17(24)22-12-5-3-4-6-13-22/h7-10H,2-6,11-14H2,1H3,(H,21,26)