1-(2,3-dihydroindol-1-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-indolin-1-yl-propan-1-one CAS Name: 1-(2,3-dihydroindol-1-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(2,3-dihydroindol-1-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-indolin-1-yl-propan-1-one Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)SC3=NN=C(N3CC=C)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C21)SC3=NN=C(N3CC=C)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4OS/c1-3-14-26-20(18-10-5-4-6-11-18)23-24-22(26)28-16(2)21(27)25-15-13-17-9-7-8-12-19(17)25/h3-12,16H,1,13-15H2,2H3