4-azanyl-2-(benzotriazol-1-yl)-3-methyl-6-phenyl-thieno[2,3-b]pyridine-5-carbonitrile

Systemtic Name: 4-azanyl-2-(benzotriazol-1-yl)-3-methyl-6-phenyl-thieno[2,3-b]pyridine-5-carbonitrile Openeye Name: 4-amino-2-(benzotriazol-1-yl)-3-methyl-6-phenyl-thieno[2,3-b]pyridine-5-carbonitrile CAS Name: 4-amino-2-(1-benzotriazolyl)-3-methyl-6-phenyl-5-thieno[2,3-b]pyridinecarbonitrile IUPAC Name: 4-amino-2-(benzotriazol-1-yl)-3-methyl-6-phenylthieno[2,3-b]pyridine-5-carbonitrile Traditional Name: 4-amino-2-(benzotriazol-1-yl)-3-methyl-6-phenyl-thieno[2,3-b]pyridine-5-carbonitrile Formula: C21H14N6S MolecularWeight: 382.44106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=C(C(=N2)C3=CC=CC=C3)C#N)N)N4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=C(SC2=C1C(=C(C(=N2)C3=CC=CC=C3)C#N)N)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H14N6S/c1-12-17-18(23)14(11-22)19(13-7-3-2-4-8-13)24-20(17)28-21(12)27-16-10-6-5-9-15(16)25-26-27/h2-10H,1H3,(H2,23,24)