(2S)-N,N-dimethyl-2-phenyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: (2S)-N,N-dimethyl-2-phenyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: (2S)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-2-phenyl-acetamide CAS Name: (2S)-N,N-dimethyl-2-phenyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: (2S)-N,N-dimethyl-2-phenyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: (2S)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N,N-dimethyl-2-phenyl-acetamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=CC=CC=C1)SC2=NN=C(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)[C@H](C1=CC=CC=C1)SC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4OS/c1-4-15-25-19(17-13-9-6-10-14-17)22-23-21(25)27-18(20(26)24(2)3)16-11-7-5-8-12-16/h4-14,18H,1,15H2,2-3H3/t18-/m0/s1