3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide

Systemtic Name: 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide Openeye Name: 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]propanamide CAS Name: 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(3-pyridinylmethylthio)phenyl]propanamide IUPAC Name: 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide Traditional Name: 3-(4-keto-1,2,3-benzotriazin-3-yl)-N-[4-(3-pyridylmethylthio)phenyl]propionamide Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CCC(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C22H19N5O2S/c28-21(11-13-27-22(29)19-5-1-2-6-20(19)25-26-27)24-17-7-9-18(10-8-17)30-15-16-4-3-12-23-14-16/h1-10,12,14H,11,13,15H2,(H,24,28)