(2S)-2-[2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[[2-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-propyl-propanamide CAS Name: (2S)-2-[[1-oxo-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[[2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-propylpropanamide Traditional Name: (2S)-2-[[2-[(4-allyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-propyl-propionamide Formula: C13H21N5O2S MolecularWeight: 311.40314

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)CSC1=NN=CN1CC=C

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)CSC1=NN=CN1CC=C

InChI

InChI=1S/C13H21N5O2S/c1-4-6-14-12(20)10(3)16-11(19)8-21-13-17-15-9-18(13)7-5-2/h5,9-10H,2,4,6-8H2,1,3H3,(H,14,20)(H,16,19)/t10-/m0/s1