2-[(4-methylphenyl)methylsulfanyl]-5-pyrrol-1-yl-1,3,4-thiadiazole

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-5-pyrrol-1-yl-1,3,4-thiadiazole Openeye Name: 2-(p-tolylmethylsulfanyl)-5-pyrrol-1-yl-1,3,4-thiadiazole CAS Name: 2-[(4-methylphenyl)methylthio]-5-(1-pyrrolyl)-1,3,4-thiadiazole IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-5-pyrrol-1-yl-1,3,4-thiadiazole Traditional Name: 2-[(4-methylbenzyl)thio]-5-pyrrol-1-yl-1,3,4-thiadiazole Formula: C14H13N3S2 MolecularWeight: 287.40312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(S2)N3C=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(S2)N3C=CC=C3

InChI

InChI=1S/C14H13N3S2/c1-11-4-6-12(7-5-11)10-18-14-16-15-13(19-14)17-8-2-3-9-17/h2-9H,10H2,1H3