2-(1-oxidanyl-3-oxidanylidene-4H-1,2,4-benzotriazin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-(1-oxidanyl-3-oxidanylidene-4H-1,2,4-benzotriazin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-(1-hydroxy-3-oxo-4H-1,2,4-benzotriazin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-(1-hydroxy-3-keto-4H-1,2,4-benzotriazin-2-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N3C(=O)NC4=CC=CC=C4N3O)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N3C(=O)NC4=CC=CC=C4N3O)C#N

InChI

InChI=1S/C16H14N4O2S/c17-9-11-10-5-1-4-8-14(10)23-15(11)19-16(21)18-12-6-2-3-7-13(12)20(19)22/h2-3,6-7,22H,1,4-5,8H2,(H,18,21)