[2-[[4-[ethyl-[2-(4-fluorosulfonylphenoxy)ethyl]amino]phenyl]diazenyl]-1,3-benzothiazol-6-yl] thiocyanate

Systemtic Name: [2-[[4-[ethyl-[2-(4-fluorosulfonylphenoxy)ethyl]amino]phenyl]diazenyl]-1,3-benzothiazol-6-yl] thiocyanate Openeye Name: [2-[4-[ethyl-[2-(4-fluorosulfonylphenoxy)ethyl]amino]phenyl]azo-1,3-benzothiazol-6-yl] thiocyanate CAS Name: thiocyanic acid [2-[4-[ethyl-[2-(4-fluorosulfonylphenoxy)ethyl]amino]phenyl]azo-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-[[4-[ethyl-[2-(4-fluorosulfonylphenoxy)ethyl]amino]phenyl]diazenyl]-1,3-benzothiazol-6-yl] thiocyanate Traditional Name: thiocyanic acid [2-[4-[ethyl-[2-(4-fluorosulfonylphenoxy)ethyl]amino]phenyl]azo-1,3-benzothiazol-6-yl] ester Formula: C24H20FN5O3S3 MolecularWeight: 541.640703

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCOC1=CC=C(C=C1)S(=O)(=O)F)C2=CC=C(C=C2)N=NC3=NC4=C(S3)C=C(C=C4)SC#N

Isomeric SMILES

CCN(CCOC1=CC=C(C=C1)S(=O)(=O)F)C2=CC=C(C=C2)N=NC3=NC4=C(S3)C=C(C=C4)SC#N

InChI

InChI=1S/C24H20FN5O3S3/c1-2-30(13-14-33-19-7-10-21(11-8-19)36(25,31)32)18-5-3-17(4-6-18)28-29-24-27-22-12-9-20(34-16-26)15-23(22)35-24/h3-12,15H,2,13-14H2,1H3