N-(2-bromanyl-4-methyl-phenyl)-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-bromo-4-methyl-phenyl)acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetamide IUPAC Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-bromo-4-methylphenyl)acetamide Traditional Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-bromo-4-methyl-phenyl)acetamide Formula: C18H17BrN4OS2 MolecularWeight: 449.38778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(S2)NCC3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(S2)NCC3=CC=CC=C3)Br

InChI

InChI=1S/C18H17BrN4OS2/c1-12-7-8-15(14(19)9-12)21-16(24)11-25-18-23-22-17(26-18)20-10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,20,22)(H,21,24)