butyl N-[5-[(3-methylphenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]carbamate

Systemtic Name: butyl N-[5-[(3-methylphenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]carbamate Openeye Name: butyl N-[5-(m-tolylmethylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]carbamate CAS Name: N-[5-[[(3-methylphenyl)methylthio]methyl]-1,3,4-thiadiazol-2-yl]carbamic acid butyl ester IUPAC Name: butyl N-[5-[(3-methylphenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]carbamate Traditional Name: N-[5-[[(3-methylbenzyl)thio]methyl]-1,3,4-thiadiazol-2-yl]carbamic acid butyl ester Formula: C16H21N3O2S2 MolecularWeight: 351.48684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC1=NN=C(S1)CSCC2=CC=CC(=C2)C

Isomeric SMILES

CCCCOC(=O)NC1=NN=C(S1)CSCC2=CC=CC(=C2)C

InChI

InChI=1S/C16H21N3O2S2/c1-3-4-8-21-16(20)17-15-19-18-14(23-15)11-22-10-13-7-5-6-12(2)9-13/h5-7,9H,3-4,8,10-11H2,1-2H3,(H,17,19,20)