N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-oxidanylidene-1,2-dihydro-1,2,4-triazole-3-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-oxidanylidene-1,2-dihydro-1,2,4-triazole-3-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-5-oxo-1,2-dihydro-1,2,4-triazole-3-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-5-keto-1,2-dihydro-1,2,4-triazole-3-carboxamide Formula: C13H13N5O2S MolecularWeight: 303.33962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)C2=NC(=O)NN2)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)C2=NC(=O)NN2)C#N

InChI

InChI=1S/C13H13N5O2S/c14-7-9-3-1-2-4-10(9)8-21-6-5-15-12(19)11-16-13(20)18-17-11/h1-4H,5-6,8H2,(H,15,19)(H2,16,17,18,20)