3-[(4-azanyl-1,3-benzothiazol-5-yl)-phenyl-amino]propanenitrile

Systemtic Name: 3-[(4-azanyl-1,3-benzothiazol-5-yl)-phenyl-amino]propanenitrile Openeye Name: 3-(N-(4-amino-1,3-benzothiazol-5-yl)anilino)propanenitrile CAS Name: 3-(N-(4-amino-1,3-benzothiazol-5-yl)anilino)propanenitrile IUPAC Name: 3-(N-(4-amino-1,3-benzothiazol-5-yl)anilino)propanenitrile Traditional Name: 3-(N-(4-amino-1,3-benzothiazol-5-yl)anilino)propionitrile Formula: C16H14N4S MolecularWeight: 294.37416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C2=C(C3=C(C=C2)SC=N3)N

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C2=C(C3=C(C=C2)SC=N3)N

InChI

InChI=1S/C16H14N4S/c17-9-4-10-20(12-5-2-1-3-6-12)13-7-8-14-16(15(13)18)19-11-21-14/h1-3,5-8,11H,4,10,18H2