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

Systemtic Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]-1,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-1,5-dimethylpyrazole-3-carboxamide Traditional Name: N-[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]-1,5-dimethyl-pyrazole-3-carboxamide Formula: C20H17N7OS2 MolecularWeight: 435.52528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=CC(=NN1C)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C20H17N7OS2/c1-12-9-16(24-26(12)2)19(28)21-13-7-8-15-18(10-13)30-20(22-15)29-11-27-17-6-4-3-5-14(17)23-25-27/h3-10H,11H2,1-2H3,(H,21,28)