5-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[(1,3-benzoxazol-2-ylthio)methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[(1,3-benzoxazol-2-ylthio)methyl]-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide Formula: C18H14N4O2S2 MolecularWeight: 382.45936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C18H14N4O2S2/c1-11-6-8-12(9-7-11)19-16(23)17-22-21-15(26-17)10-25-18-20-13-4-2-3-5-14(13)24-18/h2-9H,10H2,1H3,(H,19,23)