2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)propan-1-one

Systemtic Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)propan-1-one Openeye Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)propan-1-one CAS Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(1H-indol-3-yl)-1-propanone IUPAC Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)propan-1-one Traditional Name: 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-(1H-indol-3-yl)propan-1-one Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NN=CN3C4CC4

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NN=CN3C4CC4

InChI

InChI=1S/C16H16N4OS/c1-10(22-16-19-18-9-20(16)11-6-7-11)15(21)13-8-17-14-5-3-2-4-12(13)14/h2-5,8-11,17H,6-7H2,1H3