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

Systemtic Name: 2,5-dimethyl-4-nitro-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide Openeye Name: N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-4-nitro-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-4-nitro-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide Traditional Name: N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Formula: C18H21N5O3S3 MolecularWeight: 451.58604

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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)SCCSC(C)C)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCSC(C)C)C

InChI

InChI=1S/C18H21N5O3S3/c1-10(2)27-7-8-28-18-20-13-6-5-12(9-14(13)29-18)19-17(24)16-15(23(25)26)11(3)21-22(16)4/h5-6,9-10H,7-8H2,1-4H3,(H,19,24)