(1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl) 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate

Systemtic Name: (1-oxidanylidene-1-phenothiazin-10-yl-butan-2-yl) 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Openeye Name: 1-(phenothiazine-10-carbonyl)propyl 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate CAS Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid [1-oxo-1-(10-phenothiazinyl)butan-2-yl] ester IUPAC Name: (1-oxo-1-phenothiazin-10-ylbutan-2-yl) 4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)benzoate Traditional Name: 4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]benzoic acid 1-(phenothiazine-10-carbonyl)propyl ester Formula: C27H24N4O3S2 MolecularWeight: 516.63446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)C4=CC=C(C=C4)N5C(=NN=C5SC)C

Isomeric SMILES

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)C4=CC=C(C=C4)N5C(=NN=C5SC)C

InChI

InChI=1S/C27H24N4O3S2/c1-4-22(25(32)31-20-9-5-7-11-23(20)36-24-12-8-6-10-21(24)31)34-26(33)18-13-15-19(16-14-18)30-17(2)28-29-27(30)35-3/h5-16,22H,4H2,1-3H3