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

Systemtic Name: 2-[[5-(3-cyanophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl carbamate Openeye Name: 2-[[5-(3-cyanophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl carbamate CAS Name: carbamic acid 2-[[5-(3-cyanophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethyl ester IUPAC Name: 2-[[5-(3-cyanophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl carbamate Traditional Name: carbamic acid 2-[[5-(3-cyanophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethyl ester Formula: C13H13N5O2S MolecularWeight: 303.33962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC(=O)N)C2=CC=CC(=C2)C#N

Isomeric SMILES

CN1C(=NN=C1SCCOC(=O)N)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C13H13N5O2S/c1-18-11(10-4-2-3-9(7-10)8-14)16-17-13(18)21-6-5-20-12(15)19/h2-4,7H,5-6H2,1H3,(H2,15,19)