2-bromanyl-1,3-thiazole; 2-(2,5-diphenyl-1H-1,2,3,4-tetrazol-1-ium-3-yl)-4,5-dimethyl-1,3-thiazole

Systemtic Name: 2-bromanyl-1,3-thiazole; 2-(2,5-diphenyl-1H-1,2,3,4-tetrazol-1-ium-3-yl)-4,5-dimethyl-1,3-thiazole Openeye Name: 2-bromothiazole; 2-(2,5-diphenyl-1H-tetrazol-1-ium-3-yl)-4,5-dimethyl-thiazole CAS Name: 2-bromothiazole; 2-(2,5-diphenyl-1H-tetrazol-1-ium-3-yl)-4,5-dimethylthiazole IUPAC Name: 2-bromo-1,3-thiazole; 2-(2,5-diphenyl-1H-tetrazol-1-ium-3-yl)-4,5-dimethyl-1,3-thiazole Traditional Name: 2-bromothiazole; 2-(2,5-diphenyl-1H-tetrazol-1-ium-3-yl)-4,5-dimethyl-thiazole Formula: C21H20BrN6S2+ MolecularWeight: 500.4577

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2N=C([NH2+]N2C3=CC=CC=C3)C4=CC=CC=C4)C.C1=CSC(=N1)Br

Isomeric SMILES

CC1=C(SC(=N1)N2N=C([NH2+]N2C3=CC=CC=C3)C4=CC=CC=C4)C.C1=CSC(=N1)Br

InChI

InChI=1S/C18H17N5S.C3H2BrNS/c1-13-14(2)24-18(19-13)23-21-17(15-9-5-3-6-10-15)20-22(23)16-11-7-4-8-12-16;4-3-5-1-2-6-3/h3-12H,1-2H3,(H,20,21);1-2H/p+1