N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2,5-dimethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C(=NN3C)C)[N+](=O)[O-]

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C(=NN3C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3S2/c1-4-5-6-7-8-11-29-20-22-15-10-9-14(12-16(15)30-20)21-19(26)18-17(25(27)28)13(2)23-24(18)3/h9-10,12H,4-5,8,11H2,1-3H3,(H,21,26)