[2-[[4-(diethylamino)-2-methyl-phenyl]diazenyl]-1,3-benzothiazol-6-yl] thiocyanate

Systemtic Name: [2-[[4-(diethylamino)-2-methyl-phenyl]diazenyl]-1,3-benzothiazol-6-yl] thiocyanate Openeye Name: [2-[4-(diethylamino)-2-methyl-phenyl]azo-1,3-benzothiazol-6-yl] thiocyanate CAS Name: thiocyanic acid [2-[4-(diethylamino)-2-methylphenyl]azo-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-[[4-(diethylamino)-2-methylphenyl]diazenyl]-1,3-benzothiazol-6-yl] thiocyanate Traditional Name: thiocyanic acid [2-[4-(diethylamino)-2-methyl-phenyl]azo-1,3-benzothiazol-6-yl] ester Formula: C19H19N5S2 MolecularWeight: 381.51766

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)SC#N)C

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)SC#N)C

InChI

InChI=1S/C19H19N5S2/c1-4-24(5-2)14-6-8-16(13(3)10-14)22-23-19-21-17-9-7-15(25-12-20)11-18(17)26-19/h6-11H,4-5H2,1-3H3