N-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)sulfanyl-N-(2-pyrazol-1-ylethyl)propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)sulfanyl-N-(2-pyrazol-1-ylethyl)propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)sulfanyl-N-(2-pyrazol-1-ylethyl)propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)thio]-N-[2-(1-pyrazolyl)ethyl]propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)sulfanyl-N-(2-pyrazol-1-ylethyl)propanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)thio]-N-(2-pyrazol-1-ylethyl)propionamide Formula: C21H19ClN4OS2 MolecularWeight: 442.98476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N(CCN3C=CC=N3)C(=O)CCSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N(CCN3C=CC=N3)C(=O)CCSC4=CC=C(C=C4)Cl

InChI

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