N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-methyl-1,2,3-thiadiazol-5-yl)-1,3-thiazole-4-carboxamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-methyl-1,2,3-thiadiazol-5-yl)-1,3-thiazole-4-carboxamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-methylthiadiazol-5-yl)thiazole-4-carboxamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-2-(4-methyl-5-thiadiazolyl)-4-thiazolecarboxamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-methylthiadiazol-5-yl)-1,3-thiazole-4-carboxamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-2-(4-methylthiadiazol-5-yl)thiazole-4-carboxamide Formula: C21H19N5OS4 MolecularWeight: 485.66846

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CSC(=N3)C4=C(N=NS4)C

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CSC(=N3)C4=C(N=NS4)C

InChI

InChI=1S/C21H19N5OS4/c1-3-4-5-6-7-10-28-21-24-15-9-8-14(11-17(15)30-21)22-19(27)16-12-29-20(23-16)18-13(2)25-26-31-18/h8-9,11-12H,3-4,7,10H2,1-2H3,(H,22,27)