3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-cyanophenyl)propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-cyanophenyl)propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-cyanophenyl)propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-(3-cyanophenyl)-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-cyanophenyl)propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(3-cyanophenyl)propane-1-sulfonamide Formula: C17H15N3O2S3 MolecularWeight: 389.5149

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O2S3/c18-12-13-5-3-6-14(11-13)20-25(21,22)10-4-9-23-17-19-15-7-1-2-8-16(15)24-17/h1-3,5-8,11,20H,4,9-10H2