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

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)ethylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[2-(1,3-benzothiazol-2-yl)ethylamino]-5-nitro-benzonitrile CAS Name: 2-[2-(1,3-benzothiazol-2-yl)ethylamino]-5-nitrobenzonitrile IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)ethylamino]-5-nitrobenzonitrile Traditional Name: 2-[2-(1,3-benzothiazol-2-yl)ethylamino]-5-nitro-benzonitrile Formula: C16H12N4O2S MolecularWeight: 324.35708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCNC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H12N4O2S/c17-10-11-9-12(20(21)22)5-6-13(11)18-8-7-16-19-14-3-1-2-4-15(14)23-16/h1-6,9,18H,7-8H2