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methyl 2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-nitro-benzoate

methyl 2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-nitro-benzoate

Systemtic Name:methyl 2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-nitro-benzoate
Openeye Name:methyl 2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-nitro-benzoate
CAS Name:2-[[5-(butylthio)-1,3,4-thiadiazol-2-yl]thio]-5-nitrobenzoic acid methyl ester
IUPAC Name:methyl 2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-nitrobenzoate
Traditional Name:2-[[5-(butylthio)-1,3,4-thiadiazol-2-yl]thio]-5-nitro-benzoic acid methyl ester
Formula: C14H15N3O4S3
MolecularWeight: 385.4816
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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC


Isomeric SMILES

CCCCSC1=NN=C(S1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC


InChI

InChI=1S/C14H15N3O4S3/c1-3-4-7-22-13-15-16-14(24-13)23-11-6-5-9(17(19)20)8-10(11)12(18)21-2/h5-6,8H,3-4,7H2,1-2H3


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