4-phenethyl-3-(pyrimidin-2-ylsulfanylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-phenethyl-3-(pyrimidin-2-ylsulfanylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-phenethyl-3-(pyrimidin-2-ylsulfanylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-phenethyl-3-[(2-pyrimidinylthio)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-phenethyl-3-(pyrimidin-2-ylsulfanylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-phenethyl-3-[(2-pyrimidylthio)methyl]-1H-1,2,4-triazole-5-thione Formula: C15H15N5S2 MolecularWeight: 329.4431

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NNC2=S)CSC3=NC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NNC2=S)CSC3=NC=CC=N3

InChI

InChI=1S/C15H15N5S2/c21-15-19-18-13(11-22-14-16-8-4-9-17-14)20(15)10-7-12-5-2-1-3-6-12/h1-6,8-9H,7,10-11H2,(H,19,21)