3-[4-methyl-5-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-methyl-5-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-methyl-5-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-5-[[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-methyl-5-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C16H18N6O2S MolecularWeight: 358.41812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=C(N3C)CCC(=O)N

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)SC3=NN=C(N3C)CCC(=O)N

InChI

InChI=1S/C16H18N6O2S/c1-9(14-18-11-6-4-3-5-10(11)15(24)19-14)25-16-21-20-13(22(16)2)8-7-12(17)23/h3-6,9H,7-8H2,1-2H3,(H2,17,23)(H,18,19,24)/t9-/m1/s1