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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[2-[(4-bromophenyl)methyl]-3-pyrazolyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-[2-(4-bromobenzyl)pyrazol-3-yl]butyramide Formula: C21H19BrN4OS2 MolecularWeight: 487.43576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)NC3=CC=NN3CC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)NC3=CC=NN3CC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H19BrN4OS2/c22-16-9-7-15(8-10-16)14-26-19(11-12-23-26)25-20(27)6-3-13-28-21-24-17-4-1-2-5-18(17)29-21/h1-2,4-5,7-12H,3,6,13-14H2,(H,25,27)