5-azanyl-1-(3-methylsulfanylphenyl)-N-phenethyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-(3-methylsulfanylphenyl)-N-phenethyl-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-(3-methylsulfanylphenyl)-N-phenethyl-triazole-4-carboxamide CAS Name: 5-amino-1-[3-(methylthio)phenyl]-N-phenethyl-4-triazolecarboxamide IUPAC Name: 5-amino-1-(3-methylsulfanylphenyl)-N-phenethyltriazole-4-carboxamide Traditional Name: 5-amino-1-[3-(methylthio)phenyl]-N-phenethyl-triazole-4-carboxamide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2C(=C(N=N2)C(=O)NCCC3=CC=CC=C3)N

Isomeric SMILES

CSC1=CC=CC(=C1)N2C(=C(N=N2)C(=O)NCCC3=CC=CC=C3)N

InChI

InChI=1S/C18H19N5OS/c1-25-15-9-5-8-14(12-15)23-17(19)16(21-22-23)18(24)20-11-10-13-6-3-2-4-7-13/h2-9,12H,10-11,19H2,1H3,(H,20,24)