3-methylsulfanyl-1-[5-methylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-6,7-dihydro-5H-2-benzothiophen-4-one

Systemtic Name: 3-methylsulfanyl-1-[5-methylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-6,7-dihydro-5H-2-benzothiophen-4-one Openeye Name: 3-methylsulfanyl-1-[5-methylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-6,7-dihydro-5H-2-benzothiophen-4-one CAS Name: 3-(methylthio)-1-[5-(methylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-6,7-dihydro-5H-2-benzothiophen-4-one IUPAC Name: 3-methylsulfanyl-1-[5-methylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-6,7-dihydro-5H-2-benzothiophen-4-one Traditional Name: 3-(methylthio)-1-[5-(methylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-6,7-dihydro-5H-isobenzothiophen-4-one Formula: C18H16N4O3S3 MolecularWeight: 432.53964

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C2C(=C(S1)C3=NN=C(N3C4=CC=C(C=C4)[N+](=O)[O-])SC)CCCC2=O

Isomeric SMILES

CSC1=C2C(=C(S1)C3=NN=C(N3C4=CC=C(C=C4)[N+](=O)[O-])SC)CCCC2=O

InChI

InChI=1S/C18H16N4O3S3/c1-26-17-14-12(4-3-5-13(14)23)15(28-17)16-19-20-18(27-2)21(16)10-6-8-11(9-7-10)22(24)25/h6-9H,3-5H2,1-2H3