(2S)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethoxyphenyl)propan-1-one

Systemtic Name: (2S)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethoxyphenyl)propan-1-one Openeye Name: (2S)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)propan-1-one CAS Name: (2S)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-(4-ethoxyphenyl)-1-propanone IUPAC Name: (2S)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-ethoxyphenyl)propan-1-one Traditional Name: (2S)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-p-phenetyl-propan-1-one Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C3CC3)C4=CC=NC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NN=C(N2C3CC3)C4=CC=NC=C4

InChI

InChI=1S/C21H22N4O2S/c1-3-27-18-8-4-15(5-9-18)19(26)14(2)28-21-24-23-20(25(21)17-6-7-17)16-10-12-22-13-11-16/h4-5,8-14,17H,3,6-7H2,1-2H3/t14-/m0/s1