4-phenethyl-3-(1,3-thiazol-4-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 4-phenethyl-3-(1,3-thiazol-4-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-phenethyl-3-(thiazol-4-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one CAS Name: 4-phenethyl-3-(4-thiazolylmethylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 4-phenethyl-3-(1,3-thiazol-4-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one Traditional Name: 4-phenethyl-3-(thiazol-4-ylmethylthio)-1H-1,2,4-triazol-5-one Formula: C14H14N4OS2 MolecularWeight: 318.41716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=CSC=N3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=CSC=N3

InChI

InChI=1S/C14H14N4OS2/c19-13-16-17-14(21-9-12-8-20-10-15-12)18(13)7-6-11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H,16,19)