1-[2-[(4-methylsulfanylphenyl)methylamino]ethyl]-N-(pyridin-2-ylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[2-[(4-methylsulfanylphenyl)methylamino]ethyl]-N-(pyridin-2-ylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[2-[(4-methylsulfanylphenyl)methylamino]ethyl]-N-(2-pyridylmethyl)triazole-4-carboxamide CAS Name: 1-[2-[[4-(methylthio)phenyl]methylamino]ethyl]-N-(2-pyridinylmethyl)-4-triazolecarboxamide IUPAC Name: 1-[2-[(4-methylsulfanylphenyl)methylamino]ethyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide Traditional Name: 1-[2-[[4-(methylthio)benzyl]amino]ethyl]-N-(2-pyridylmethyl)triazole-4-carboxamide Formula: C19H22N6OS MolecularWeight: 382.48258

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNCCN2C=C(N=N2)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

CSC1=CC=C(C=C1)CNCCN2C=C(N=N2)C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C19H22N6OS/c1-27-17-7-5-15(6-8-17)12-20-10-11-25-14-18(23-24-25)19(26)22-13-16-4-2-3-9-21-16/h2-9,14,20H,10-13H2,1H3,(H,22,26)