2-(4-chloranyl-2-nitro-phenyl)sulfanyl-5-(2-methylpropylsulfanyl)-1,3,4-thiadiazole

Systemtic Name: 2-(4-chloranyl-2-nitro-phenyl)sulfanyl-5-(2-methylpropylsulfanyl)-1,3,4-thiadiazole Openeye Name: 2-(4-chloro-2-nitro-phenyl)sulfanyl-5-isobutylsulfanyl-1,3,4-thiadiazole CAS Name: 2-[(4-chloro-2-nitrophenyl)thio]-5-(2-methylpropylthio)-1,3,4-thiadiazole IUPAC Name: 2-(4-chloro-2-nitrophenyl)sulfanyl-5-(2-methylpropylsulfanyl)-1,3,4-thiadiazole Traditional Name: 2-[(4-chloro-2-nitro-phenyl)thio]-5-(isobutylthio)-1,3,4-thiadiazole Formula: C12H12ClN3O2S3 MolecularWeight: 361.89058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NN=C(S1)SC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)CSC1=NN=C(S1)SC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H12ClN3O2S3/c1-7(2)6-19-11-14-15-12(21-11)20-10-4-3-8(13)5-9(10)16(17)18/h3-5,7H,6H2,1-2H3