2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)benzenecarbonitrile

Systemtic Name: 2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)benzenecarbonitrile Openeye Name: 2-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-ylamino)benzonitrile CAS Name: 2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)benzonitrile IUPAC Name: 2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylamino)benzonitrile Traditional Name: 2-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-ylamino)benzonitrile Formula: C17H14N4S MolecularWeight: 306.38486

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(N=CN=C3S2)NC4=CC=CC=C4C#N

Isomeric SMILES

C1CCC2=C(C1)C3=C(N=CN=C3S2)NC4=CC=CC=C4C#N

InChI

InChI=1S/C17H14N4S/c18-9-11-5-1-3-7-13(11)21-16-15-12-6-2-4-8-14(12)22-17(15)20-10-19-16/h1,3,5,7,10H,2,4,6,8H2,(H,19,20,21)