N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Formula: C19H23N5O4S2 MolecularWeight: 449.54702

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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)SCCC(C)(C)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O4S2/c1-11-15(24(26)27)16(23(4)22-11)17(25)20-12-6-7-13-14(10-12)30-18(21-13)29-9-8-19(2,3)28-5/h6-7,10H,8-9H2,1-5H3,(H,20,25)