1,5-dimethyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide

Systemtic Name: 1,5-dimethyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide Openeye Name: 1,5-dimethyl-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide CAS Name: 1,5-dimethyl-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]-3-pyrazolecarboxamide IUPAC Name: 1,5-dimethyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide Traditional Name: 1,5-dimethyl-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide Formula: C19H18N4OS3 MolecularWeight: 414.56742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4

Isomeric SMILES

CC1=CC(=NN1C)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4

InChI

InChI=1S/C19H18N4OS3/c1-12-9-16(22-23(12)2)18(24)20-14-3-4-15-17(10-14)27-19(21-15)26-8-6-13-5-7-25-11-13/h3-5,7,9-11H,6,8H2,1-2H3,(H,20,24)