3-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one

Systemtic Name: 3-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Openeye Name: 3-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]tetrahydrofuran-2-one CAS Name: 3-[[4-amino-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-2-oxolanone IUPAC Name: 3-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Traditional Name: 3-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]tetrahydrofuran-2-one Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1SC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1COC(=O)C1SC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C17H16N4O2S/c18-21-15(19-20-17(21)24-14-8-9-23-16(14)22)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,14H,8-10,18H2