N,N-diethyl-3-(phenylmethylsulfanyl)-1,2,4-triazole-1-carboxamide

Systemtic Name: N,N-diethyl-3-(phenylmethylsulfanyl)-1,2,4-triazole-1-carboxamide Openeye Name: 3-benzylsulfanyl-N,N-diethyl-1,2,4-triazole-1-carboxamide CAS Name: N,N-diethyl-3-(phenylmethylthio)-1,2,4-triazole-1-carboxamide IUPAC Name: 3-benzylsulfanyl-N,N-diethyl-1,2,4-triazole-1-carboxamide Traditional Name: 3-(benzylthio)-N,N-diethyl-1,2,4-triazole-1-carboxamide Formula: C14H18N4OS MolecularWeight: 290.38392

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1C=NC(=N1)SCC2=CC=CC=C2

Isomeric SMILES

CCN(CC)C(=O)N1C=NC(=N1)SCC2=CC=CC=C2

InChI

InChI=1S/C14H18N4OS/c1-3-17(4-2)14(19)18-11-15-13(16-18)20-10-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3