1-(2-methyl-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: 1-(2-methyl-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: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methyl-1H-indol-3-yl)propan-1-one CAS Name: 1-(2-methyl-1H-indol-3-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(2-methyl-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: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(2-methyl-1H-indol-3-yl)propan-1-one Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)SC3=NN=C(N3CC=C)C4=CC=NC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)SC3=NN=C(N3CC=C)C4=CC=NC=C4

InChI

InChI=1S/C22H21N5OS/c1-4-13-27-21(16-9-11-23-12-10-16)25-26-22(27)29-15(3)20(28)19-14(2)24-18-8-6-5-7-17(18)19/h4-12,15,24H,1,13H2,2-3H3