N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-5-methyl-1H-pyrazole-3-carboxamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-5-methyl-1H-pyrazole-3-carboxamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-5-methyl-1H-pyrazole-3-carboxamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-5-methyl-1H-pyrazole-3-carboxamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-5-methyl-1H-pyrazole-3-carboxamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-5-methyl-1H-pyrazole-3-carboxamide Formula: C19H20N4OS2 MolecularWeight: 384.5183

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=NNC(=C3)C

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=NNC(=C3)C

InChI

InChI=1S/C19H20N4OS2/c1-3-4-5-6-7-10-25-19-21-15-9-8-14(12-17(15)26-19)20-18(24)16-11-13(2)22-23-16/h8-9,11-12H,3-4,7,10H2,1-2H3,(H,20,24)(H,22,23)