N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1-cyano-cyclopropane-1-carboxamide

Systemtic Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1-cyano-cyclopropane-1-carboxamide Openeye Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1-cyano-cyclopropanecarboxamide CAS Name: N-[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]-1-cyano-1-cyclopropanecarboxamide IUPAC Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1-cyanocyclopropane-1-carboxamide Traditional Name: N-[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]-1-cyano-cyclopropanecarboxamide Formula: C19H14N6OS2 MolecularWeight: 406.48406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C#N)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CC1(C#N)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C19H14N6OS2/c20-10-19(7-8-19)17(26)21-12-5-6-14-16(9-12)28-18(22-14)27-11-25-15-4-2-1-3-13(15)23-24-25/h1-6,9H,7-8,11H2,(H,21,26)