6-[[4,6-bis(dioctylamino)-1,3,5-triazin-2-yl]amino]-3H-1,3-benzothiazole-2-thione

Systemtic Name: 6-[[4,6-bis(dioctylamino)-1,3,5-triazin-2-yl]amino]-3H-1,3-benzothiazole-2-thione Openeye Name: 6-[[4,6-bis(dioctylamino)-1,3,5-triazin-2-yl]amino]-3H-1,3-benzothiazole-2-thione CAS Name: 6-[[4,6-bis(dioctylamino)-1,3,5-triazin-2-yl]amino]-3H-1,3-benzothiazole-2-thione IUPAC Name: 6-[[4,6-bis(dioctylamino)-1,3,5-triazin-2-yl]amino]-3H-1,3-benzothiazole-2-thione Traditional Name: 6-[[4,6-bis(dioctylamino)-s-triazin-2-yl]amino]-3H-1,3-benzothiazole-2-thione Formula: C42H73N7S2 MolecularWeight: 740.20592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C1=NC(=NC(=N1)NC2=CC3=C(C=C2)NC(=S)S3)N(CCCCCCCC)CCCCCCCC

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)C1=NC(=NC(=N1)NC2=CC3=C(C=C2)NC(=S)S3)N(CCCCCCCC)CCCCCCCC

InChI

InChI=1S/C42H73N7S2/c1-5-9-13-17-21-25-31-48(32-26-22-18-14-10-6-2)40-45-39(43-36-29-30-37-38(35-36)51-42(50)44-37)46-41(47-40)49(33-27-23-19-15-11-7-3)34-28-24-20-16-12-8-4/h29-30,35H,5-28,31-34H2,1-4H3,(H,44,50)(H,43,45,46,47)