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

Systemtic Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]thiocarbamoyl]-3-nitro-benzamide Formula: C12H12N6O3S2 MolecularWeight: 352.39208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N6O3S2/c1-7-14-15-12(23-2)17(7)16-11(22)13-10(19)8-4-3-5-9(6-8)18(20)21/h3-6H,1-2H3,(H2,13,16,19,22)