(2R)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: (2R)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: (2R)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: (2R)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: (2R)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: (2R)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-pyrrolidino-propan-1-one Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)N1CCCC1)SC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4OS/c1-16(21(27)26-14-8-9-15-26)28-22-23-19(17-10-4-2-5-11-17)20(24-25-22)18-12-6-3-7-13-18/h2-7,10-13,16H,8-9,14-15H2,1H3/t16-/m1/s1