(3S)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one

Systemtic Name: (3S)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Openeye Name: (3S)-3-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: (3S)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-2-azepanone IUPAC Name: (3S)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Traditional Name: (3S)-3-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C14H18N4OS2 MolecularWeight: 322.44892

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2CCCCNC2=O)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1S[C@H]2CCCCNC2=O)C3=CC=CS3

InChI

InChI=1S/C14H18N4OS2/c1-2-18-12(10-7-5-9-20-10)16-17-14(18)21-11-6-3-4-8-15-13(11)19/h5,7,9,11H,2-4,6,8H2,1H3,(H,15,19)/t11-/m0/s1