[4-[(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone

Systemtic Name: [4-[(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Openeye Name: [4-[(5-methylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)methyl]piperazin-1-yl]-(5-nitro-2-thienyl)methanone CAS Name: [4-[[5-(methylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-1-piperazinyl]-(5-nitro-2-thiophenyl)methanone IUPAC Name: [4-[(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Traditional Name: [4-[[5-(methylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperazino]-(5-nitro-2-thienyl)methanone Formula: C13H15N5O3S4 MolecularWeight: 417.5499

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=S)S1)CN2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CSC1=NN(C(=S)S1)CN2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O3S4/c1-23-12-14-17(13(22)25-12)8-15-4-6-16(7-5-15)11(19)9-2-3-10(24-9)18(20)21/h2-3H,4-8H2,1H3