N-[4-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]ethanamide

Systemtic Name: N-[4-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]ethanamide Openeye Name: N-[4-[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]phenyl]acetamide CAS Name: N-[4-[2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxopropyl]phenyl]acetamide IUPAC Name: N-[4-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]acetamide Traditional Name: N-[4-[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propanoyl]phenyl]acetamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)SC2=NN=C(N2C3CC3)C4=CN=CC=C4

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)SC2=NN=C(N2C3CC3)C4=CN=CC=C4

InChI

InChI=1S/C21H21N5O2S/c1-13(19(28)15-5-7-17(8-6-15)23-14(2)27)29-21-25-24-20(26(21)18-9-10-18)16-4-3-11-22-12-16/h3-8,11-13,18H,9-10H2,1-2H3,(H,23,27)