(2S)-3-azanylidene-2-(1,3-benzothiazol-2-yl)pentanedinitrile

Systemtic Name: (2S)-3-azanylidene-2-(1,3-benzothiazol-2-yl)pentanedinitrile Openeye Name: (2S)-2-(1,3-benzothiazol-2-yl)-3-imino-pentanedinitrile CAS Name: (2S)-2-(1,3-benzothiazol-2-yl)-3-iminopentanedinitrile IUPAC Name: (2S)-2-(1,3-benzothiazol-2-yl)-3-iminopentanedinitrile Traditional Name: (2S)-2-(1,3-benzothiazol-2-yl)-3-imino-glutaronitrile Formula: C12H8N4S MolecularWeight: 240.28372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)C(=N)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)[C@H](C#N)C(=N)CC#N

InChI

InChI=1S/C12H8N4S/c13-6-5-9(15)8(7-14)12-16-10-3-1-2-4-11(10)17-12/h1-4,8,15H,5H2/t8-/m1/s1