N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-4-nitro-benzamide

Systemtic Name: N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-4-nitro-benzamide Openeye Name: N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-4-nitro-benzamide CAS Name: N-[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]-4-nitrobenzamide IUPAC Name: N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-4-nitrobenzamide Traditional Name: N-[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]-4-nitro-benzamide Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCSC1=NN=C(N1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C12H13N5O3S/c1-3-21-12-14-13-8(2)16(12)15-11(18)9-4-6-10(7-5-9)17(19)20/h4-7H,3H2,1-2H3,(H,15,18)