(2S)-1-(4-ethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: (2S)-1-(4-ethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2S)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylphenyl)propan-1-one CAS Name: (2S)-1-(4-ethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2S)-1-(4-ethylphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2S)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-ethylphenyl)propan-1-one Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

InChI=1S/C21H22N4OS/c1-4-14-25-20(18-10-12-22-13-11-18)23-24-21(25)27-15(3)19(26)17-8-6-16(5-2)7-9-17/h4,6-13,15H,1,5,14H2,2-3H3/t15-/m0/s1