5-isothiocyanato-6-phenylsulfanyl-2-pyridin-3-yl-1,3-benzothiazole

Systemtic Name: 5-isothiocyanato-6-phenylsulfanyl-2-pyridin-3-yl-1,3-benzothiazole Openeye Name: 5-isothiocyanato-6-phenylsulfanyl-2-(3-pyridyl)-1,3-benzothiazole CAS Name: 5-isothiocyanato-6-(phenylthio)-2-(3-pyridinyl)-1,3-benzothiazole IUPAC Name: 5-isothiocyanato-6-phenylsulfanyl-2-pyridin-3-yl-1,3-benzothiazole Traditional Name: 5-isothiocyanato-6-(phenylthio)-2-(3-pyridyl)-1,3-benzothiazole Formula: C19H11N3S3 MolecularWeight: 377.50574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C3C(=C2)SC(=N3)C4=CN=CC=C4)N=C=S

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C3C(=C2)SC(=N3)C4=CN=CC=C4)N=C=S

InChI

InChI=1S/C19H11N3S3/c23-12-21-15-9-16-18(10-17(15)24-14-6-2-1-3-7-14)25-19(22-16)13-5-4-8-20-11-13/h1-11H