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

Systemtic Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Openeye Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide CAS Name: N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-5-(2-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]thiocarbamoyl]-5-(2-nitrophenyl)-2-furamide Formula: C16H14N6O4S2 MolecularWeight: 418.45016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])SC

Isomeric SMILES

CC1=NN=C(N1NC(=S)NC(=O)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])SC

InChI

InChI=1S/C16H14N6O4S2/c1-9-18-19-16(28-2)21(9)20-15(27)17-14(23)13-8-7-12(26-13)10-5-3-4-6-11(10)22(24)25/h3-8H,1-2H3,(H2,17,20,23,27)