(2R)-1-(1H-indol-3-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: (2R)-1-(1H-indol-3-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2R)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)propan-1-one CAS Name: (2R)-1-(1H-indol-3-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: (2R)-1-(1H-indol-3-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2R)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(1H-indol-3-yl)propan-1-one Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NN=C(N3CC=C)C4=CC=NC=C4

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)SC3=NN=C(N3CC=C)C4=CC=NC=C4

InChI

InChI=1S/C21H19N5OS/c1-3-12-26-20(15-8-10-22-11-9-15)24-25-21(26)28-14(2)19(27)17-13-23-18-7-5-4-6-16(17)18/h3-11,13-14,23H,1,12H2,2H3/t14-/m1/s1