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

Systemtic Name: 4-methyl-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methyl-N-[[3-methyl-5-(methylthio)-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:

CC1=C(C=C(C=C1)C(=O)NC(=S)NN2C(=NN=C2SC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NN2C(=NN=C2SC)C)[N+](=O)[O-]

InChI

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