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

Systemtic Name: 1-[3-(4-methylphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one Openeye Name: 3-phenyl-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]-3-phenyl-1-propanone IUPAC Name: 1-[3-(4-methylphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one Traditional Name: 3-phenyl-1-[3-(p-tolyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]propan-1-one Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CS3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CS3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C23H22N4OS/c1-17-9-12-19(13-10-17)22-25-23(24-16-20-8-5-15-29-20)27(26-22)21(28)14-11-18-6-3-2-4-7-18/h2-10,12-13,15H,11,14,16H2,1H3,(H,24,25,26)