1-[3-(4-methylphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one

Systemtic Name: 1-[3-(4-methylphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-[3-(p-tolyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]propan-1-one CAS Name: 1-[3-(4-methylphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 1-[3-(4-methylphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 1-[3-(p-tolyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]propan-1-one Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)C)NCC3=CC=CS3

Isomeric SMILES

CCC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)C)NCC3=CC=CS3

InChI

InChI=1S/C17H18N4OS/c1-3-15(22)21-17(18-11-14-5-4-10-23-14)19-16(20-21)13-8-6-12(2)7-9-13/h4-10H,3,11H2,1-2H3,(H,18,19,20)