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

Systemtic Name: 5-methyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]-1H-pyrazole-3-carboxamide Openeye Name: 5-methyl-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-1H-pyrazole-3-carboxamide CAS Name: 5-methyl-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]-1H-pyrazole-3-carboxamide IUPAC Name: 5-methyl-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]-1H-pyrazole-3-carboxamide Traditional Name: 5-methyl-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]-1H-pyrazole-3-carboxamide Formula: C18H16N4OS3 MolecularWeight: 400.54084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4

Isomeric SMILES

CC1=CC(=NN1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4

InChI

InChI=1S/C18H16N4OS3/c1-11-8-15(22-21-11)17(23)19-13-2-3-14-16(9-13)26-18(20-14)25-7-5-12-4-6-24-10-12/h2-4,6,8-10H,5,7H2,1H3,(H,19,23)(H,21,22)