4-[[4-[(3-chloranyl-2,6-dimethyl-phenyl)amino]-6-(oxidanylamino)-1,3,5-triazin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[(3-chloranyl-2,6-dimethyl-phenyl)amino]-6-(oxidanylamino)-1,3,5-triazin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(3-chloro-2,6-dimethyl-anilino)-6-(hydroxyamino)-1,3,5-triazin-2-yl]amino]benzonitrile CAS Name: 4-[[4-(3-chloro-2,6-dimethylanilino)-6-(hydroxyamino)-1,3,5-triazin-2-yl]amino]benzonitrile IUPAC Name: 4-[[4-(3-chloro-2,6-dimethylanilino)-6-(hydroxyamino)-1,3,5-triazin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(3-chloro-2,6-dimethyl-anilino)-6-(hydroxyamino)-s-triazin-2-yl]amino]benzonitrile Formula: C18H16ClN7O MolecularWeight: 381.81894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)C)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)C#N)NO

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)C)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)C#N)NO

InChI

InChI=1S/C18H16ClN7O/c1-10-3-8-14(19)11(2)15(10)22-17-23-16(24-18(25-17)26-27)21-13-6-4-12(9-20)5-7-13/h3-8,27H,1-2H3,(H3,21,22,23,24,25,26)