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

Systemtic Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitropyrazole-3-carboxamide Traditional Name: 2,5-dimethyl-4-nitro-N-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide Formula: C21H19N5O4S2 MolecularWeight: 469.53666

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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)SCC4=CC=CC=C4OC)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4OC)C

InChI

InChI=1S/C21H19N5O4S2/c1-12-18(26(28)29)19(25(2)24-12)20(27)22-14-8-9-15-17(10-14)32-21(23-15)31-11-13-6-4-5-7-16(13)30-3/h4-10H,11H2,1-3H3,(H,22,27)