N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide CAS Name: N-[[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-5-(2-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]thiocarbamoyl]-5-(2-nitrophenyl)-2-furamide Formula: C17H16N6O4S2 MolecularWeight: 432.47674

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CCSC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C17H16N6O4S2/c1-3-29-17-20-19-10(2)22(17)21-16(28)18-15(24)14-9-8-13(27-14)11-6-4-5-7-12(11)23(25)26/h4-9H,3H2,1-2H3,(H2,18,21,24,28)