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

Systemtic Name: 4-(phenylmethyl)-3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[[5-(2-thienyl)isoxazol-3-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-(phenylmethyl)-3-[(5-thiophen-2-yl-3-isoxazolyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[[5-(2-thienyl)isoxazol-3-yl]methylthio]-1H-1,2,4-triazol-5-one Formula: C17H14N4O2S2 MolecularWeight: 370.44866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C17H14N4O2S2/c22-16-18-19-17(21(16)10-12-5-2-1-3-6-12)25-11-13-9-14(23-20-13)15-7-4-8-24-15/h1-9H,10-11H2,(H,18,22)