4-(3-oxidanylidene-2,5-dihydropyrido[3,4-b][1,4]benzothiazin-4-yl)benzenecarbonitrile

Systemtic Name: 4-(3-oxidanylidene-2,5-dihydropyrido[3,4-b][1,4]benzothiazin-4-yl)benzenecarbonitrile Openeye Name: 4-(3-oxo-2,5-dihydropyrido[3,4-b][1,4]benzothiazin-4-yl)benzonitrile CAS Name: 4-(3-oxo-2,5-dihydropyrido[3,4-b][1,4]benzothiazin-4-yl)benzonitrile IUPAC Name: 4-(3-oxo-2,5-dihydropyrido[3,4-b][1,4]benzothiazin-4-yl)benzonitrile Traditional Name: 4-(3-keto-2,5-dihydropyrido[3,4-b][1,4]benzothiazin-4-yl)benzonitrile Formula: C18H11N3OS MolecularWeight: 317.36444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC3=C(C(=O)NC=C3S2)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC3=C(C(=O)NC=C3S2)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C18H11N3OS/c19-9-11-5-7-12(8-6-11)16-17-15(10-20-18(16)22)23-14-4-2-1-3-13(14)21-17/h1-8,10,21H,(H,20,22)