1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-ylsulfanyl)ethanone

Systemtic Name: 1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-ylsulfanyl)ethanone Openeye Name: 1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-ylsulfanyl)ethanone CAS Name: 1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-ylthio)ethanone IUPAC Name: 1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-ylsulfanyl)ethanone Traditional Name: 1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-ylthio)ethanone Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NC3=C(CCCC3)N=N2

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NC3=C(CCCC3)N=N2

InChI

InChI=1S/C16H17N3O2S/c1-21-12-8-6-11(7-9-12)15(20)10-22-16-17-13-4-2-3-5-14(13)18-19-16/h6-9H,2-5,10H2,1H3