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

Systemtic Name: 4-(phenylmethyl)-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[[2-(2-thienyl)thiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-(phenylmethyl)-3-[(2-thiophen-2-yl-4-thiazolyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[[2-(2-thienyl)thiazol-4-yl]methylthio]-1H-1,2,4-triazol-5-one Formula: C17H14N4OS3 MolecularWeight: 386.51426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC3=CSC(=N3)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC3=CSC(=N3)C4=CC=CS4

InChI

InChI=1S/C17H14N4OS3/c22-16-19-20-17(21(16)9-12-5-2-1-3-6-12)25-11-13-10-24-15(18-13)14-7-4-8-23-14/h1-8,10H,9,11H2,(H,19,22)