5-azanyl-1-(3-fluoranyl-4-methyl-phenyl)-N-(thiophen-2-ylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-(3-fluoranyl-4-methyl-phenyl)-N-(thiophen-2-ylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-(3-fluoro-4-methyl-phenyl)-N-(2-thienylmethyl)triazole-4-carboxamide CAS Name: 5-amino-1-(3-fluoro-4-methylphenyl)-N-(thiophen-2-ylmethyl)-4-triazolecarboxamide IUPAC Name: 5-amino-1-(3-fluoro-4-methylphenyl)-N-(thiophen-2-ylmethyl)triazole-4-carboxamide Traditional Name: 5-amino-1-(3-fluoro-4-methyl-phenyl)-N-(2-thenyl)triazole-4-carboxamide Formula: C15H14FN5OS MolecularWeight: 331.367963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)NCC3=CC=CS3)N)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)NCC3=CC=CS3)N)F

InChI

InChI=1S/C15H14FN5OS/c1-9-4-5-10(7-12(9)16)21-14(17)13(19-20-21)15(22)18-8-11-3-2-6-23-11/h2-7H,8,17H2,1H3,(H,18,22)