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

Systemtic Name: (3S)-3-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: (3S)-3-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: (3S)-3-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: (3S)-3-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: (3S)-3-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SC2CCCCNC2=O)C3=CC=NC=C3

Isomeric SMILES

COCCN1C(=NN=C1S[C@H]2CCCCNC2=O)C3=CC=NC=C3

InChI

InChI=1S/C16H21N5O2S/c1-23-11-10-21-14(12-5-8-17-9-6-12)19-20-16(21)24-13-4-2-3-7-18-15(13)22/h5-6,8-9,13H,2-4,7,10-11H2,1H3,(H,18,22)/t13-/m0/s1