N-[1-(4-methylsulfanylphenyl)ethyl]-3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanamide

Systemtic Name: N-[1-(4-methylsulfanylphenyl)ethyl]-3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanamide Openeye Name: N-[1-(4-methylsulfanylphenyl)ethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide CAS Name: N-[1-[4-(methylthio)phenyl]ethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide IUPAC Name: N-[1-(4-methylsulfanylphenyl)ethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide Traditional Name: 3-(4-keto-1,2,3-benzotriazin-3-yl)-N-[1-[4-(methylthio)phenyl]ethyl]propionamide Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)NC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C1=CC=C(C=C1)SC)NC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C19H20N4O2S/c1-13(14-7-9-15(26-2)10-8-14)20-18(24)11-12-23-19(25)16-5-3-4-6-17(16)21-22-23/h3-10,13H,11-12H2,1-2H3,(H,20,24)