4-[[(2R)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide

Systemtic Name: 4-[[(2R)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide Openeye Name: 4-[[(2R)-2-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide CAS Name: 4-[[(2R)-1-oxo-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propyl]amino]benzamide IUPAC Name: 4-[[(2R)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide Traditional Name: 4-[[(2R)-2-[(4-allyl-1,2,4-triazol-3-yl)thio]propanoyl]amino]benzamide Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=CN2CC=C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=CN2CC=C

InChI

InChI=1S/C15H17N5O2S/c1-3-8-20-9-17-19-15(20)23-10(2)14(22)18-12-6-4-11(5-7-12)13(16)21/h3-7,9-10H,1,8H2,2H3,(H2,16,21)(H,18,22)/t10-/m1/s1