[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]phenyl] thiocyanate

Systemtic Name: [4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]phenyl] thiocyanate Openeye Name: [4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]phenyl] ester IUPAC Name: [4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]phenyl] ester Formula: C16H11N3OS3 MolecularWeight: 357.47304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)SC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)SC#N

InChI

InChI=1S/C16H11N3OS3/c17-10-22-12-7-5-11(6-8-12)18-15(20)9-21-16-19-13-3-1-2-4-14(13)23-16/h1-8H,9H2,(H,18,20)