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

Systemtic Name: 4-(phenylmethyl)-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-(phenylmethyl)-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylthio]-1H-1,2,4-triazol-5-one Formula: C16H13N5O2S2 MolecularWeight: 371.43672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C16H13N5O2S2/c22-15-18-19-16(21(15)9-11-5-2-1-3-6-11)25-10-13-17-14(20-23-13)12-7-4-8-24-12/h1-8H,9-10H2,(H,18,22)