3-[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propanamide CAS Name: 3-[[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]propionamide Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

C1CC1C2=NC(=NN2)SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C17H21N5O2S/c18-14(23)8-9-22(10-12-4-2-1-3-5-12)15(24)11-25-17-19-16(20-21-17)13-6-7-13/h1-5,13H,6-11H2,(H2,18,23)(H,19,20,21)