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

Systemtic Name: 1-[3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[3-(4-methoxyphenyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[3-(4-methoxyphenyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]butan-1-one Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O2S/c1-3-5-16(23)22-18(19-12-15-6-4-11-25-15)20-17(21-22)13-7-9-14(24-2)10-8-13/h4,6-11H,3,5,12H2,1-2H3,(H,19,20,21)