3-[(3-methylphenyl)-[(E)-(5-nitro-2,1-benzothiazol-3-yl)diazenyl]amino]propanenitrile

Systemtic Name: 3-[(3-methylphenyl)-[(E)-(5-nitro-2,1-benzothiazol-3-yl)diazenyl]amino]propanenitrile Openeye Name: 3-(3-methyl-N-[(E)-(5-nitro-2,1-benzothiazol-3-yl)azo]anilino)propanenitrile CAS Name: 3-(3-methyl-N-[(E)-(5-nitro-2,1-benzothiazol-3-yl)azo]anilino)propanenitrile IUPAC Name: 3-(3-methyl-N-[(E)-(5-nitro-2,1-benzothiazol-3-yl)diazenyl]anilino)propanenitrile Traditional Name: 3-(3-methyl-N-[(E)-(5-nitro-2,1-benzothiazol-3-yl)azo]anilino)propionitrile Formula: C17H14N6O2S MolecularWeight: 366.39706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CCC#N)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N(CCC#N)/N=N/C2=C3C=C(C=CC3=NS2)[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O2S/c1-12-4-2-5-13(10-12)22(9-3-8-18)21-19-17-15-11-14(23(24)25)6-7-16(15)20-26-17/h2,4-7,10-11H,3,9H2,1H3/b21-19+