2-[6-(benzotriazol-1-yl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]ethanenitrile

Systemtic Name: 2-[6-(benzotriazol-1-yl)-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]ethanenitrile Openeye Name: 2-[6-(benzotriazol-1-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetonitrile CAS Name: 2-[6-(1-benzotriazolyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetonitrile IUPAC Name: 2-[6-(benzotriazol-1-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetonitrile Traditional Name: 2-[6-(benzotriazol-1-yl)-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl]acetonitrile Formula: C15H10N6OS MolecularWeight: 322.3445

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CC#N)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CC#N)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C15H10N6OS/c1-8-12-13(22)17-11(6-7-16)18-14(12)23-15(8)21-10-5-3-2-4-9(10)19-20-21/h2-5H,6H2,1H3,(H,17,18,22)