3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-6-(naphthalen-2-ylmethyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-6-(naphthalen-2-ylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-6-(2-naphthylmethyl)-2H-1,2,4-triazin-5-one CAS Name: 3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-6-(2-naphthalenylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-6-(naphthalen-2-ylmethyl)-2H-1,2,4-triazin-5-one Traditional Name: 3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-6-(2-naphthylmethyl)-2H-1,2,4-triazin-5-one Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC2=NC(=O)C(=NN2)CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=NC(=O)C(=NN2)CC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H22N6OS/c1-14-19(24-13-23-14)12-29-9-8-22-21-25-20(28)18(26-27-21)11-15-6-7-16-4-2-3-5-17(16)10-15/h2-7,10,13H,8-9,11-12H2,1H3,(H,23,24)(H2,22,25,27,28)