3,6-bis(azanyl)-2-(4-methylphenyl)carbonyl-thieno[2,3-b]pyridine-5-carbonitrile

Systemtic Name: 3,6-bis(azanyl)-2-(4-methylphenyl)carbonyl-thieno[2,3-b]pyridine-5-carbonitrile Openeye Name: 3,6-diamino-2-(4-methylbenzoyl)thieno[2,3-b]pyridine-5-carbonitrile CAS Name: 3,6-diamino-2-[(4-methylphenyl)-oxomethyl]-5-thieno[2,3-b]pyridinecarbonitrile IUPAC Name: 3,6-diamino-2-(4-methylbenzoyl)thieno[2,3-b]pyridine-5-carbonitrile Traditional Name: 3,6-diamino-2-p-toluoyl-thieno[2,3-b]pyridine-5-carbonitrile Formula: C16H12N4OS MolecularWeight: 308.35768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)N=C(C(=C3)C#N)N)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)N=C(C(=C3)C#N)N)N

InChI

InChI=1S/C16H12N4OS/c1-8-2-4-9(5-3-8)13(21)14-12(18)11-6-10(7-17)15(19)20-16(11)22-14/h2-6H,18H2,1H3,(H2,19,20)