2-[2-(1,3-benzothiazol-2-ylamino)ethylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylamino)ethylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[2-(1,3-benzothiazol-2-ylamino)ethylamino]-5-nitro-benzonitrile CAS Name: 2-[2-(1,3-benzothiazol-2-ylamino)ethylamino]-5-nitrobenzonitrile IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylamino)ethylamino]-5-nitrobenzonitrile Traditional Name: 2-[2-(1,3-benzothiazol-2-ylamino)ethylamino]-5-nitro-benzonitrile Formula: C16H13N5O2S MolecularWeight: 339.37172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NCCNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NCCNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H13N5O2S/c17-10-11-9-12(21(22)23)5-6-13(11)18-7-8-19-16-20-14-3-1-2-4-15(14)24-16/h1-6,9,18H,7-8H2,(H,19,20)