(2S)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide

Systemtic Name: (2S)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide Openeye Name: (2S)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-isopropylphenyl)propanamide CAS Name: (2S)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-(4-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-p-cumenyl-propionamide Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)SC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C23H26N4OS/c1-5-15-27-21(19-9-7-6-8-10-19)25-26-23(27)29-17(4)22(28)24-20-13-11-18(12-14-20)16(2)3/h5-14,16-17H,1,15H2,2-4H3,(H,24,28)/t17-/m0/s1