3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-6-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)-4-phenyl-2,3-dihydro-1,2,4-triazin-5-one

Systemtic Name: 3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-6-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)-4-phenyl-2,3-dihydro-1,2,4-triazin-5-one Openeye Name: 3-[(5-methyl-2-phenyl-oxazol-4-yl)methylsulfanyl]-6-(3-oxo-3-pyrrolidin-1-yl-propyl)-4-phenyl-2,3-dihydro-1,2,4-triazin-5-one CAS Name: 3-[(5-methyl-2-phenyl-4-oxazolyl)methylthio]-6-[3-oxo-3-(1-pyrrolidinyl)propyl]-4-phenyl-2,3-dihydro-1,2,4-triazin-5-one IUPAC Name: 3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-phenyl-2,3-dihydro-1,2,4-triazin-5-one Traditional Name: 6-(3-keto-3-pyrrolidino-propyl)-3-[(5-methyl-2-phenyl-oxazol-4-yl)methylthio]-4-phenyl-2,3-dihydro-1,2,4-triazin-5-one Formula: C27H29N5O3S MolecularWeight: 503.61586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)CSC3NN=C(C(=O)N3C4=CC=CC=C4)CCC(=O)N5CCCC5

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CSC3NN=C(C(=O)N3C4=CC=CC=C4)CCC(=O)N5CCCC5

InChI

InChI=1S/C27H29N5O3S/c1-19-23(28-25(35-19)20-10-4-2-5-11-20)18-36-27-30-29-22(14-15-24(33)31-16-8-9-17-31)26(34)32(27)21-12-6-3-7-13-21/h2-7,10-13,27,30H,8-9,14-18H2,1H3