2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-5-nitro-benzonitrile CAS Name: 2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-5-nitrobenzonitrile IUPAC Name: 2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-5-nitrobenzonitrile Traditional Name: 2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-5-nitro-benzonitrile Formula: C21H14N4O2S MolecularWeight: 386.42646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H14N4O2S/c1-13-2-8-19-20(10-13)28-21(24-19)14-3-5-16(6-4-14)23-18-9-7-17(25(26)27)11-15(18)12-22/h2-11,23H,1H3