4-azanyl-3-(phenylmethylsulfanyl)-6-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-5-one

Systemtic Name: 4-azanyl-3-(phenylmethylsulfanyl)-6-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-5-one Openeye Name: 4-amino-3-benzylsulfanyl-6-[(4-isopropylphenyl)methyl]-1,2,4-triazin-5-one CAS Name: 4-amino-3-(phenylmethylthio)-6-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-5-one IUPAC Name: 4-amino-3-benzylsulfanyl-6-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-5-one Traditional Name: 4-amino-3-(benzylthio)-6-(4-isopropylbenzyl)-1,2,4-triazin-5-one Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CC2=NN=C(N(C2=O)N)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CC2=NN=C(N(C2=O)N)SCC3=CC=CC=C3

InChI

InChI=1S/C20H22N4OS/c1-14(2)17-10-8-15(9-11-17)12-18-19(25)24(21)20(23-22-18)26-13-16-6-4-3-5-7-16/h3-11,14H,12-13,21H2,1-2H3