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

Systemtic Name: 3-phenyl-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 3-phenyl-1-[3-phenyl-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]propan-1-one CAS Name: 3-phenyl-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 3-phenyl-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 3-phenyl-1-[3-phenyl-5-(2-thenylamino)-1,2,4-triazol-1-yl]propan-1-one Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)N2C(=NC(=N2)C3=CC=CC=C3)NCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N2C(=NC(=N2)C3=CC=CC=C3)NCC4=CC=CS4

InChI

InChI=1S/C22H20N4OS/c27-20(14-13-17-8-3-1-4-9-17)26-22(23-16-19-12-7-15-28-19)24-21(25-26)18-10-5-2-6-11-18/h1-12,15H,13-14,16H2,(H,23,24,25)