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

Systemtic Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamide Openeye Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(2,5-dimethylthiazol-4-yl)acetamide CAS Name: N-[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]-2-(2,5-dimethyl-4-thiazolyl)acetamide IUPAC Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide Traditional Name: N-[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]-2-(2,5-dimethylthiazol-4-yl)acetamide Formula: C21H18N6OS3 MolecularWeight: 466.60222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)C)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=C(N=C(S1)C)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H18N6OS3/c1-12-17(22-13(2)30-12)10-20(28)23-14-7-8-16-19(9-14)31-21(24-16)29-11-27-18-6-4-3-5-15(18)25-26-27/h3-9H,10-11H2,1-2H3,(H,23,28)