N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanamide

Systemtic Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanamide Openeye Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(3-methylisoxazol-5-yl)acetamide CAS Name: N-[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]-2-(3-methyl-5-isoxazolyl)acetamide IUPAC Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide Traditional Name: N-[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]-2-(3-methylisoxazol-5-yl)acetamide Formula: C20H16N6O2S2 MolecularWeight: 436.51004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=NOC(=C1)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C20H16N6O2S2/c1-12-8-14(28-24-12)10-19(27)21-13-6-7-16-18(9-13)30-20(22-16)29-11-26-17-5-3-2-4-15(17)23-25-26/h2-9H,10-11H2,1H3,(H,21,27)