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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[2-[(2-chlorophenyl)methyl]-3-pyrazolyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-[2-(2-chlorobenzyl)pyrazol-3-yl]butyramide Formula: C21H19ClN4OS2 MolecularWeight: 442.98476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C(=CC=N2)NC(=O)CCCSC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C(=CC=N2)NC(=O)CCCSC3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H19ClN4OS2/c22-16-7-2-1-6-15(16)14-26-19(11-12-23-26)25-20(27)10-5-13-28-21-24-17-8-3-4-9-18(17)29-21/h1-4,6-9,11-12H,5,10,13-14H2,(H,25,27)