2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-propylindol-3-yl)ethanone

Systemtic Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-propylindol-3-yl)ethanone Openeye Name: 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-propylindol-3-yl)ethanone CAS Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-(1-propyl-3-indolyl)ethanone IUPAC Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-propylindol-3-yl)ethanone Traditional Name: 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(1-propylindol-3-yl)ethanone Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=CC=CC=C21)C(=O)CSC3=NN=C(N3C)C4=CC=NC=C4

Isomeric SMILES

CCCN1C=C(C2=CC=CC=C21)C(=O)CSC3=NN=C(N3C)C4=CC=NC=C4

InChI

InChI=1S/C21H21N5OS/c1-3-12-26-13-17(16-6-4-5-7-18(16)26)19(27)14-28-21-24-23-20(25(21)2)15-8-10-22-11-9-15/h4-11,13H,3,12,14H2,1-2H3