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

Systemtic Name: 3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-6-phenethyl-2H-1,2,4-triazin-5-one Openeye Name: 3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-6-phenethyl-2H-1,2,4-triazin-5-one CAS Name: 3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-6-phenethyl-2H-1,2,4-triazin-5-one IUPAC Name: 3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-6-phenethyl-2H-1,2,4-triazin-5-one Traditional Name: 3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-6-phenethyl-2H-1,2,4-triazin-5-one Formula: C18H22N6OS MolecularWeight: 370.47188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC2=NC(=O)C(=NN2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=NC(=O)C(=NN2)CCC3=CC=CC=C3

InChI

InChI=1S/C18H22N6OS/c1-13-16(21-12-20-13)11-26-10-9-19-18-22-17(25)15(23-24-18)8-7-14-5-3-2-4-6-14/h2-6,12H,7-11H2,1H3,(H,20,21)(H2,19,22,24,25)