(4E)-2-methyl-4-(4-phenyl-3H-1,3-oxazol-2-ylidene)cyclohexa-2,5-diene-1-thione; 2-sulfanylpropanoic acid

Systemtic Name: (4E)-2-methyl-4-(4-phenyl-3H-1,3-oxazol-2-ylidene)cyclohexa-2,5-diene-1-thione; 2-sulfanylpropanoic acid Openeye Name: (4E)-2-methyl-4-(4-phenyl-3H-oxazol-2-ylidene)cyclohexa-2,5-diene-1-thione; 2-sulfanylpropanoic acid CAS Name: 2-mercaptopropanoic acid; (4E)-2-methyl-4-(4-phenyl-3H-oxazol-2-ylidene)-1-cyclohexa-2,5-dienethione IUPAC Name: (4E)-2-methyl-4-(4-phenyl-3H-1,3-oxazol-2-ylidene)cyclohexa-2,5-diene-1-thione; 2-sulfanylpropanoic acid Traditional Name: 2-mercaptopropionic acid; (4E)-2-methyl-4-(4-phenyl-4-oxazolin-2-ylidene)cyclohexa-2,5-diene-1-thione Formula: C19H19NO3S2 MolecularWeight: 373.48906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2NC(=CO2)C3=CC=CC=C3)C=CC1=S.CC(C(=O)O)S

Isomeric SMILES

CC1=C/C(=C/2\NC(=CO2)C3=CC=CC=C3)/C=CC1=S.CC(C(=O)O)S

InChI

InChI=1S/C16H13NOS.C3H6O2S/c1-11-9-13(7-8-15(11)19)16-17-14(10-18-16)12-5-3-2-4-6-12;1-2(6)3(4)5/h2-10,17H,1H3;2,6H,1H3,(H,4,5)/b16-13+;