manganese(2+); 4-methyl-4H-pyrazole; 4-methyl-1,2,4-triazole; diisothiocyanate; dithiocyanate

Systemtic Name: manganese(2+); 4-methyl-4H-pyrazole; 4-methyl-1,2,4-triazole; diisothiocyanate; dithiocyanate Openeye Name: dimanganous; 4-methyl-4H-pyrazole; 4-methyl-1,2,4-triazole; diisothiocyanate; dithiocyanate CAS Name: manganese(2+); 4-methyl-4H-pyrazole; 4-methyl-1,2,4-triazole; diisothiocyanate; dithiocyanate IUPAC Name: manganese(2+); 4-methyl-4H-pyrazole; 4-methyl-1,2,4-triazole; diisothiocyanate; dithiocyanate Traditional Name: dimanganous; 4-methyl-4H-pyrazole; 4-methyl-1,2,4-triazole; diisothiocyanate; dithiocyanate Formula: C20H26Mn2N18S4 MolecularWeight: 756.677138

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=NN=C1.CN1C=NN=C1.CN1C=NN=C1.CN1C=NN=C1.CN1C=NN=C1.C(=[N-])=S.C(=[N-])=S.C(#N)[S-].C(#N)[S-].[Mn+2].[Mn+2]

Isomeric SMILES

CC1C=NN=C1.CN1C=NN=C1.CN1C=NN=C1.CN1C=NN=C1.CN1C=NN=C1.C(=[N-])=S.C(=[N-])=S.C(#N)[S-].C(#N)[S-].[Mn+2].[Mn+2]

InChI

InChI=1S/C4H6N2.4C3H5N3.2CHNS.2CNS.2Mn/c1-4-2-5-6-3-4;4*1-6-2-4-5-3-6;4*2-1-3;;/h2-4H,1H3;4*2-3H,1H3;2*3H;;;;/q;;;;;;;2*-1;2*+2/p-2