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

Systemtic Name: (2S)-N-(2-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-isopropylphenyl)propanamide CAS Name: (2S)-N-(2-propan-2-ylphenyl)-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2S)-N-(2-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-o-cumenyl-propionamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NN=C(N2CC=C)C3=CN=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(C)C)SC2=NN=C(N2CC=C)C3=CN=CC=C3

InChI

InChI=1S/C22H25N5OS/c1-5-13-27-20(17-9-8-12-23-14-17)25-26-22(27)29-16(4)21(28)24-19-11-7-6-10-18(19)15(2)3/h5-12,14-16H,1,13H2,2-4H3,(H,24,28)/t16-/m0/s1