2-(1-oxidanyl-3-oxidanylidene-4H-1,2,4-benzotriazin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile

Systemtic Name: 2-(1-oxidanyl-3-oxidanylidene-4H-1,2,4-benzotriazin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile Openeye Name: 2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile CAS Name: 2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile IUPAC Name: 2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile Traditional Name: 2-(1-hydroxy-3-keto-4H-1,2,4-benzotriazin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile Formula: C17H16N4O2S MolecularWeight: 340.39954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)N3C(=O)NC4=CC=CC=C4N3O

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)N3C(=O)NC4=CC=CC=C4N3O

InChI

InChI=1S/C17H16N4O2S/c18-10-12-11-6-2-1-3-9-15(11)24-16(12)20-17(22)19-13-7-4-5-8-14(13)21(20)23/h4-5,7-8,23H,1-3,6,9H2,(H,19,22)