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

Systemtic Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-3-cyano-benzamide Openeye Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-3-cyano-benzamide CAS Name: N-[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]-3-cyanobenzamide IUPAC Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-3-cyanobenzamide Traditional Name: N-[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]-3-cyano-benzamide Formula: C22H14N6OS2 MolecularWeight: 442.51616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CSC3=NC4=C(S3)C=C(C=C4)NC(=O)C5=CC=CC(=C5)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CSC3=NC4=C(S3)C=C(C=C4)NC(=O)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C22H14N6OS2/c23-12-14-4-3-5-15(10-14)21(29)24-16-8-9-18-20(11-16)31-22(25-18)30-13-28-19-7-2-1-6-17(19)26-27-28/h1-11H,13H2,(H,24,29)