4-phenethyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-phenethyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-phenethyl-3-[[2-(3-thienyl)thiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-phenethyl-3-[[2-(3-thiophenyl)-4-thiazolyl]methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-phenethyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-phenethyl-3-[[2-(3-thienyl)thiazol-4-yl]methylthio]-1H-1,2,4-triazol-5-one Formula: C18H16N4OS3 MolecularWeight: 400.54084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=CSC(=N3)C4=CSC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=CSC(=N3)C4=CSC=C4

InChI

InChI=1S/C18H16N4OS3/c23-17-20-21-18(22(17)8-6-13-4-2-1-3-5-13)26-12-15-11-25-16(19-15)14-7-9-24-10-14/h1-5,7,9-11H,6,8,12H2,(H,20,23)