3-[[4-azanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one

Systemtic Name: 3-[[4-azanyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[4-amino-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: 3-[[4-amino-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: 3-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[4-amino-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2N)SC3CCCCNC3=O

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2N)SC3CCCCNC3=O

InChI

InChI=1S/C13H17N5O2S/c1-8-9(5-7-20-8)11-16-17-13(18(11)14)21-10-4-2-3-6-15-12(10)19/h5,7,10H,2-4,6,14H2,1H3,(H,15,19)