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

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-1,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-1,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-1,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-1,5-dimethylpyrazole-3-carboxamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-1,5-dimethyl-pyrazole-3-carboxamide Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4OS2/c1-4-5-6-7-8-11-26-20-22-16-10-9-15(13-18(16)27-20)21-19(25)17-12-14(2)24(3)23-17/h9-10,12-13H,4-5,8,11H2,1-3H3,(H,21,25)