4-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[(4-bromanylthiophen-2-yl)methyl]pyrazol-3-yl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[2-[(4-bromo-2-thiophenyl)methyl]-3-pyrazolyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-[2-[(4-bromo-2-thienyl)methyl]pyrazol-3-yl]butyramide Formula: C19H17BrN4OS3 MolecularWeight: 493.46348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)NC3=CC=NN3CC4=CC(=CS4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)NC3=CC=NN3CC4=CC(=CS4)Br

InChI

InChI=1S/C19H17BrN4OS3/c20-13-10-14(27-12-13)11-24-17(7-8-21-24)23-18(25)6-3-9-26-19-22-15-4-1-2-5-16(15)28-19/h1-2,4-5,7-8,10,12H,3,6,9,11H2,(H,23,25)