3-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[4-oxo-4-(2-thienyl)butyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(4-oxo-4-thiophen-2-ylbutyl)thio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-(4-oxo-4-thiophen-2-ylbutyl)sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[[4-keto-4-(2-thienyl)butyl]thio]-1H-1,2,4-triazol-5-one Formula: C17H17N3O2S2 MolecularWeight: 359.46578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)NN=C2SCCCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)NN=C2SCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C17H17N3O2S2/c21-14(15-9-5-10-23-15)8-4-11-24-17-19-18-16(22)20(17)12-13-6-2-1-3-7-13/h1-3,5-7,9-10H,4,8,11-12H2,(H,18,22)