N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]cinnoline-4-carboxamide

Systemtic Name: N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]cinnoline-4-carboxamide Openeye Name: N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]cinnoline-4-carboxamide CAS Name: N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]-4-cinnolinecarboxamide IUPAC Name: N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]cinnoline-4-carboxamide Traditional Name: N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]cinnoline-4-carboxamide Formula: C21H20N4OS3 MolecularWeight: 440.6047

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=NC4=CC=CC=C43

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=NC4=CC=CC=C43

InChI

InChI=1S/C21H20N4OS3/c1-13(2)27-9-10-28-21-24-18-8-7-14(11-19(18)29-21)23-20(26)16-12-22-25-17-6-4-3-5-15(16)17/h3-8,11-13H,9-10H2,1-2H3,(H,23,26)