N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-3-nitro-benzamide Formula: C13H14N6O3S2 MolecularWeight: 366.41866

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCSC1=NN=C(N1NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H14N6O3S2/c1-3-24-13-16-15-8(2)18(13)17-12(23)14-11(20)9-5-4-6-10(7-9)19(21)22/h4-7H,3H2,1-2H3,(H2,14,17,20,23)