N-[3-acetamido-4-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]ethanamide

Systemtic Name: N-[3-acetamido-4-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]ethanamide Openeye Name: N-[3-acetamido-4-[2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide CAS Name: N-[3-acetamido-4-[1-oxo-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]phenyl]acetamide IUPAC Name: N-[3-acetamido-4-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide Traditional Name: N-[3-acetamido-4-[2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]phenyl]acetamide Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC(=O)C2=C(C=C(C=C2)NC(=O)C)NC(=O)C

Isomeric SMILES

CC(C)N1C=NN=C1SCC(=O)C2=C(C=C(C=C2)NC(=O)C)NC(=O)C

InChI

InChI=1S/C17H21N5O3S/c1-10(2)22-9-18-21-17(22)26-8-16(25)14-6-5-13(19-11(3)23)7-15(14)20-12(4)24/h5-7,9-10H,8H2,1-4H3,(H,19,23)(H,20,24)