2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone

Systemtic Name: 2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone CAS Name: 2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone IUPAC Name: 2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone Formula: C30H31N5OS MolecularWeight: 509.66504

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=CC=CC=C2N1C(=O)CSC3=NN=C(N3CC=C)C4=CC=NC=C4)(C)C5=CC=CC=C5)C

Isomeric SMILES

CC1(CC(C2=CC=CC=C2N1C(=O)CSC3=NN=C(N3CC=C)C4=CC=NC=C4)(C)C5=CC=CC=C5)C

InChI

InChI=1S/C30H31N5OS/c1-5-19-34-27(22-15-17-31-18-16-22)32-33-28(34)37-20-26(36)35-25-14-10-9-13-24(25)30(4,21-29(35,2)3)23-11-7-6-8-12-23/h5-18H,1,19-21H2,2-4H3