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

Systemtic Name: 2,5-dimethyl-4-nitro-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-4-nitro-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-4-nitro-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-4-nitro-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide Traditional Name: 2,5-dimethyl-4-nitro-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]pyrazole-3-carboxamide Formula: C19H17N5O3S3 MolecularWeight: 459.56498

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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)SCCC4=CSC=C4)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4)C

InChI

InChI=1S/C19H17N5O3S3/c1-11-16(24(26)27)17(23(2)22-11)18(25)20-13-3-4-14-15(9-13)30-19(21-14)29-8-6-12-5-7-28-10-12/h3-5,7,9-10H,6,8H2,1-2H3,(H,20,25)