(3S)-3-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one

Systemtic Name: (3S)-3-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Openeye Name: (3S)-3-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]tetrahydrofuran-2-one CAS Name: (3S)-3-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-2-oxolanone IUPAC Name: (3S)-3-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one Traditional Name: (3S)-3-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]tetrahydrofuran-2-one Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SC3CCOC3=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)S[C@H]3CCOC3=O

InChI

InChI=1S/C16H20N4O2S/c1-16(2,3)11-6-4-10(5-7-11)13-18-19-15(20(13)17)23-12-8-9-22-14(12)21/h4-7,12H,8-9,17H2,1-3H3/t12-/m0/s1