[3-methyl-4-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate

Systemtic Name: [3-methyl-4-[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate Openeye Name: [3-methyl-4-[[2-[[5-(3-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [3-methyl-4-[[1-oxo-2-[[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]ethyl]amino]phenyl] ester IUPAC Name: [3-methyl-4-[[2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3-methyl-4-[[2-[[5-(3-pyridyl)-1,3,4-oxadiazol-2-yl]thio]acetyl]amino]phenyl] ester Formula: C17H13N5O2S2 MolecularWeight: 383.44742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NN=C(O2)C3=CN=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CSC2=NN=C(O2)C3=CN=CC=C3

InChI

InChI=1S/C17H13N5O2S2/c1-11-7-13(26-10-18)4-5-14(11)20-15(23)9-25-17-22-21-16(24-17)12-3-2-6-19-8-12/h2-8H,9H2,1H3,(H,20,23)