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

Systemtic Name: (3S)-3-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: (3S)-3-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: (3S)-3-[[4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: (3S)-3-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: (3S)-3-[[4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C)SC3CCCCNC3=O

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)S[C@H]3CCCCNC3=O

InChI

InChI=1S/C14H18N4O2S/c1-9-10(6-8-20-9)12-16-17-14(18(12)2)21-11-5-3-4-7-15-13(11)19/h6,8,11H,3-5,7H2,1-2H3,(H,15,19)/t11-/m0/s1