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

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

CC1=NN=C(N1C2=CC=C(C=C2)C#N)SCCOC(=O)N

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)C#N)SCCOC(=O)N

InChI

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