N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

Systemtic Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide Openeye Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-3,5-dimethyl-isoxazole-4-carboxamide CAS Name: N-[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]-3,5-dimethyl-4-isoxazolecarboxamide IUPAC Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide Traditional Name: N-[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]-3,5-dimethyl-isoxazole-4-carboxamide Formula: C20H16N6O2S2 MolecularWeight: 436.51004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C20H16N6O2S2/c1-11-18(12(2)28-24-11)19(27)21-13-7-8-15-17(9-13)30-20(22-15)29-10-26-16-6-4-3-5-14(16)23-25-26/h3-9H,10H2,1-2H3,(H,21,27)