N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]hex-5-ynamide

Systemtic Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]hex-5-ynamide Openeye Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]hex-5-ynamide CAS Name: N-[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]-5-hexynamide IUPAC Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]hex-5-ynamide Traditional Name: N-[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]hex-5-ynamide Formula: C20H17N5OS2 MolecularWeight: 407.51188

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCN3C4=CC=CC=C4N=N3

Isomeric SMILES

C#CCCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H17N5OS2/c1-2-3-4-9-19(26)21-14-10-11-16-18(12-14)28-20(22-16)27-13-25-17-8-6-5-7-15(17)23-24-25/h1,5-8,10-12H,3-4,9,13H2,(H,21,26)