2-methyl-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-phenyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-methyl-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-phenyl-1,3-thiazole-4-carboxamide Openeye Name: 2-methyl-N-[5-(m-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-phenyl-thiazole-4-carboxamide CAS Name: 2-methyl-N-[5-[(3-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-phenyl-4-thiazolecarboxamide IUPAC Name: 2-methyl-N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-phenyl-1,3-thiazole-4-carboxamide Traditional Name: 2-methyl-N-[5-[(3-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-5-phenyl-thiazole-4-carboxamide Formula: C21H18N4OS3 MolecularWeight: 438.58882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(S2)NC(=O)C3=C(SC(=N3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(S2)NC(=O)C3=C(SC(=N3)C)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4OS3/c1-13-7-6-8-15(11-13)12-27-21-25-24-20(29-21)23-19(26)17-18(28-14(2)22-17)16-9-4-3-5-10-16/h3-11H,12H2,1-2H3,(H,23,24,26)