2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl carbamate

Systemtic Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl carbamate Openeye Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl carbamate CAS Name: carbamic acid 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]ethyl ester IUPAC Name: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl carbamate Traditional Name: carbamic acid 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]ethyl ester Formula: C12H13N5O4S MolecularWeight: 323.32772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC(=O)N)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SCCOC(=O)N)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O4S/c1-16-10(8-3-2-4-9(7-8)17(19)20)14-15-12(16)22-6-5-21-11(13)18/h2-4,7H,5-6H2,1H3,(H2,13,18)