1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[(2S)-2-methylindolin-1-yl]ethanone CAS Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-[(2S)-2-methylindolin-1-yl]ethanone Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CSC3=NN=C(N3CC=C)C4=CN=CC=C4

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)CSC3=NN=C(N3CC=C)C4=CN=CC=C4

InChI

InChI=1S/C21H21N5OS/c1-3-11-25-20(17-8-6-10-22-13-17)23-24-21(25)28-14-19(27)26-15(2)12-16-7-4-5-9-18(16)26/h3-10,13,15H,1,11-12,14H2,2H3/t15-/m0/s1