4-(5-hexyl-1,3,4-thiadiazol-2-yl)-5-octyl-1,2,4-triazole-3-thiolate; tris(phenylmethyl)stannanylium

Systemtic Name: 4-(5-hexyl-1,3,4-thiadiazol-2-yl)-5-octyl-1,2,4-triazole-3-thiolate; tris(phenylmethyl)stannanylium Openeye Name: 4-(5-hexyl-1,3,4-thiadiazol-2-yl)-5-octyl-1,2,4-triazole-3-thiolate; tribenzylstannanylium CAS Name: 4-(5-hexyl-1,3,4-thiadiazol-2-yl)-5-octyl-1,2,4-triazole-3-thiolate; tris(phenylmethyl)stannanylium IUPAC Name: 4-(5-hexyl-1,3,4-thiadiazol-2-yl)-5-octyl-1,2,4-triazole-3-thiolate; tribenzylstannanylium Traditional Name: 4-(5-hexyl-1,3,4-thiadiazol-2-yl)-5-octyl-1,2,4-triazole-3-thiolate; tribenzylstannanylium Formula: C39H51N5S2Sn MolecularWeight: 772.69574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NN=C(N1C2=NN=C(S2)CCCCCC)[S-].C1=CC=C(C=C1)C[Sn+](CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC1=NN=C(N1C2=NN=C(S2)CCCCCC)[S-].C1=CC=C(C=C1)C[Sn+](CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H31N5S2.3C7H7.Sn/c1-3-5-7-9-10-11-13-15-19-21-17(24)23(15)18-22-20-16(25-18)14-12-8-6-4-2;3*1-7-5-3-2-4-6-7;/h3-14H2,1-2H3,(H,21,24);3*2-6H,1H2;/q;;;;+1/p-1