5-butyl-6-methyl-2-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 5-butyl-6-methyl-2-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 2-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methylsulfanyl]-5-butyl-6-methyl-1H-pyrimidin-4-one CAS Name: 5-butyl-6-methyl-2-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 5-butyl-6-methyl-2-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 2-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methylthio]-5-butyl-6-methyl-1H-pyrimidin-4-one Formula: C15H21N5OS2 MolecularWeight: 351.49014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=NC1=O)SCC2=NNC(=S)N2CC=C)C

Isomeric SMILES

CCCCC1=C(NC(=NC1=O)SCC2=NNC(=S)N2CC=C)C

InChI

InChI=1S/C15H21N5OS2/c1-4-6-7-11-10(3)16-14(17-13(11)21)23-9-12-18-19-15(22)20(12)8-5-2/h5H,2,4,6-9H2,1,3H3,(H,19,22)(H,16,17,21)