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

Systemtic Name: (2S)-N-phenethyl-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-phenethyl-propanamide CAS Name: (2S)-N-phenethyl-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2S)-N-phenethyl-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-phenethyl-propionamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)SC2=NN=C(N2CC=C)C3=CN=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=CC=C1)SC2=NN=C(N2CC=C)C3=CN=CC=C3

InChI

InChI=1S/C21H23N5OS/c1-3-14-26-19(18-10-7-12-22-15-18)24-25-21(26)28-16(2)20(27)23-13-11-17-8-5-4-6-9-17/h3-10,12,15-16H,1,11,13-14H2,2H3,(H,23,27)/t16-/m0/s1