4-(methylsulfanylmethyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-(methylsulfanylmethyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-(4-isopropylphenyl)-1,3,4-thiadiazol-2-yl]-4-(methylsulfanylmethyl)benzamide CAS Name: 4-[(methylthio)methyl]-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-(methylsulfanylmethyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-[(methylthio)methyl]-N-(5-p-cumenyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)CSC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)CSC

InChI

InChI=1S/C20H21N3OS2/c1-13(2)15-8-10-17(11-9-15)19-22-23-20(26-19)21-18(24)16-6-4-14(5-7-16)12-25-3/h4-11,13H,12H2,1-3H3,(H,21,23,24)