1-(4-methylphenyl)-3-[5-[(phenylmethylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl]urea

Systemtic Name: 1-(4-methylphenyl)-3-[5-[(phenylmethylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-3-(p-tolyl)urea CAS Name: 1-(4-methylphenyl)-3-[5-[(phenylmethylthio)methyl]-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea Traditional Name: 1-[5-[(benzylthio)methyl]-1,3,4-thiadiazol-2-yl]-3-(p-tolyl)urea Formula: C18H18N4OS2 MolecularWeight: 370.49172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)CSCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)CSCC3=CC=CC=C3

InChI

InChI=1S/C18H18N4OS2/c1-13-7-9-15(10-8-13)19-17(23)20-18-22-21-16(25-18)12-24-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,19,20,22,23)