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

Systemtic Name: 4-(5-decyl-1,3,4-thiadiazol-2-yl)-5-hexyl-1,2,4-triazole-3-thiolate; tris(phenylmethyl)stannanylium Openeye Name: 4-(5-decyl-1,3,4-thiadiazol-2-yl)-5-hexyl-1,2,4-triazole-3-thiolate; tribenzylstannanylium CAS Name: 4-(5-decyl-1,3,4-thiadiazol-2-yl)-5-hexyl-1,2,4-triazole-3-thiolate; tris(phenylmethyl)stannanylium IUPAC Name: 4-(5-decyl-1,3,4-thiadiazol-2-yl)-5-hexyl-1,2,4-triazole-3-thiolate; tribenzylstannanylium Traditional Name: 4-(5-decyl-1,3,4-thiadiazol-2-yl)-5-hexyl-1,2,4-triazole-3-thiolate; tribenzylstannanylium Formula: C41H55N5S2Sn MolecularWeight: 800.7489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=NN=C(S1)N2C(=NN=C2[S-])CCCCCC.C1=CC=C(C=C1)C[Sn+](CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCC1=NN=C(S1)N2C(=NN=C2[S-])CCCCCC.C1=CC=C(C=C1)C[Sn+](CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H35N5S2.3C7H7.Sn/c1-3-5-7-9-10-11-12-14-16-18-22-24-20(27-18)25-17(21-23-19(25)26)15-13-8-6-4-2;3*1-7-5-3-2-4-6-7;/h3-16H2,1-2H3,(H,23,26);3*2-6H,1H2;/q;;;;+1/p-1