4-[(3-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-phenyl-aniline

Systemtic Name: 4-[(3-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-phenyl-aniline Openeye Name: 4-[(3-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-2-yl)azo]-N-phenyl-aniline CAS Name: 4-[(3-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-2-yl)azo]-N-phenylaniline IUPAC Name: 4-[(3-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N-phenylaniline Traditional Name: [4-[(3-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-2-yl)azo]phenyl]-phenyl-amine Formula: C20H21N4S+ MolecularWeight: 349.47254

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=C1CCCC2)N=NC3=CC=C(C=C3)NC4=CC=CC=C4

Isomeric SMILES

C[N+]1=C(SC2=C1CCCC2)N=NC3=CC=C(C=C3)NC4=CC=CC=C4

InChI

InChI=1S/C20H20N4S/c1-24-18-9-5-6-10-19(18)25-20(24)23-22-17-13-11-16(12-14-17)21-15-7-3-2-4-8-15/h2-4,7-8,11-14H,5-6,9-10H2,1H3/p+1