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

Systemtic Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Formula: C19H21N5O5S2 MolecularWeight: 463.53054

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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)SCCC4OCCCO4)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4OCCCO4)C

InChI

InChI=1S/C19H21N5O5S2/c1-11-16(24(26)27)17(23(2)22-11)18(25)20-12-4-5-13-14(10-12)31-19(21-13)30-9-6-15-28-7-3-8-29-15/h4-5,10,15H,3,6-9H2,1-2H3,(H,20,25)