S-(1H-1,2,4-triazol-5-yl) 2-methyl-3-nitro-benzenecarbothioate

Systemtic Name: S-(1H-1,2,4-triazol-5-yl) 2-methyl-3-nitro-benzenecarbothioate Openeye Name: S-(1H-1,2,4-triazol-5-yl) 2-methyl-3-nitro-benzenecarbothioate CAS Name: 2-methyl-3-nitrobenzenecarbothioic acid S-(1H-1,2,4-triazol-5-yl) ester IUPAC Name: S-(1H-1,2,4-triazol-5-yl) 2-methyl-3-nitrobenzenecarbothioate Traditional Name: 2-methyl-3-nitro-thiobenzoic acid S-(1H-1,2,4-triazol-5-yl) ester Formula: C10H8N4O3S MolecularWeight: 264.26052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)SC2=NC=NN2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)SC2=NC=NN2

InChI

InChI=1S/C10H8N4O3S/c1-6-7(3-2-4-8(6)14(16)17)9(15)18-10-11-5-12-13-10/h2-5H,1H3,(H,11,12,13)