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

Systemtic Name: 1-(4-phenylphenyl)-2-(5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-ylsulfanyl)ethanone Openeye Name: 1-(4-phenylphenyl)-2-(5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-ylsulfanyl)ethanone CAS Name: 1-(4-phenylphenyl)-2-(5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-ylthio)ethanone IUPAC Name: 1-(4-phenylphenyl)-2-(5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-ylsulfanyl)ethanone Traditional Name: 1-(4-phenylphenyl)-2-(5,6,7,8-tetrahydro-1,2,4-benzotriazin-3-ylthio)ethanone Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(N=N2)SCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)N=C(N=N2)SCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3OS/c25-20(14-26-21-22-18-8-4-5-9-19(18)23-24-21)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-3,6-7,10-13H,4-5,8-9,14H2