4-[(2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[(2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[(2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[(2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[(2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[(2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]propanoyl]-1,3-dihydroquinoxalin-2-one Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)N2CC(=O)NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1S[C@H](C)C(=O)N2CC(=O)NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2S/c1-3-25-19(15-9-5-4-6-10-15)23-24-21(25)29-14(2)20(28)26-13-18(27)22-16-11-7-8-12-17(16)26/h4-12,14H,3,13H2,1-2H3,(H,22,27)/t14-/m1/s1