4,6-dimethyl-3-[(phenylmethylsulfanyl)methylamino]thieno[2,3-b]pyridine-2-carbonitrile

Systemtic Name: 4,6-dimethyl-3-[(phenylmethylsulfanyl)methylamino]thieno[2,3-b]pyridine-2-carbonitrile Openeye Name: 3-(benzylsulfanylmethylamino)-4,6-dimethyl-thieno[2,3-b]pyridine-2-carbonitrile CAS Name: 4,6-dimethyl-3-[(phenylmethylthio)methylamino]-2-thieno[2,3-b]pyridinecarbonitrile IUPAC Name: 3-(benzylsulfanylmethylamino)-4,6-dimethylthieno[2,3-b]pyridine-2-carbonitrile Traditional Name: 3-[(benzylthio)methylamino]-4,6-dimethyl-thieno[2,3-b]pyridine-2-carbonitrile Formula: C18H17N3S2 MolecularWeight: 339.47768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C#N)NCSCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C#N)NCSCC3=CC=CC=C3)C

InChI

InChI=1S/C18H17N3S2/c1-12-8-13(2)21-18-16(12)17(15(9-19)23-18)20-11-22-10-14-6-4-3-5-7-14/h3-8,20H,10-11H2,1-2H3