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

Systemtic Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[2-(1-benzotriazolylmethylthio)-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[2-(benzotriazol-1-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[2-(benzotriazol-1-ylmethylthio)-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Formula: C20H16N8O3S2 MolecularWeight: 480.52284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)SCN4C5=CC=CC=C5N=N4)C

InChI

InChI=1S/C20H16N8O3S2/c1-11-17(28(30)31)18(26(2)24-11)19(29)21-12-7-8-14-16(9-12)33-20(22-14)32-10-27-15-6-4-3-5-13(15)23-25-27/h3-9H,10H2,1-2H3,(H,21,29)