N'-[(2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]benzohydrazide

Systemtic Name: N'-[(2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]benzohydrazide Openeye Name: N'-[(2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]benzohydrazide CAS Name: N'-[(2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]benzohydrazide IUPAC Name: N'-[(2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]benzohydrazide Traditional Name: N'-[(2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]propanoyl]benzohydrazide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)C1=CC=CC=C1)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NNC(=O)C1=CC=CC=C1)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2S/c1-14(19(27)23-24-20(28)16-8-4-2-5-9-16)29-21-22-18(15-12-13-15)26(25-21)17-10-6-3-7-11-17/h2-11,14-15H,12-13H2,1H3,(H,23,27)(H,24,28)/t14-/m1/s1