benzotriazol-1-yl 2-[(triphenylmethyl)amino]-3-(triphenylmethyl)sulfanyl-propanoate

Systemtic Name: benzotriazol-1-yl 2-[(triphenylmethyl)amino]-3-(triphenylmethyl)sulfanyl-propanoate Openeye Name: benzotriazol-1-yl 2-(tritylamino)-3-tritylsulfanyl-propanoate CAS Name: 2-[(triphenylmethyl)amino]-3-[(triphenylmethyl)thio]propanoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 2-(tritylamino)-3-tritylsulfanylpropanoate Traditional Name: 2-(tritylamino)-3-(tritylthio)propionic acid benzotriazol-1-yl ester Formula: C47H38N4O2S MolecularWeight: 722.89522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(CSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)ON7C8=CC=CC=C8N=N7

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC(CSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)ON7C8=CC=CC=C8N=N7

InChI

InChI=1S/C47H38N4O2S/c52-45(53-51-44-34-20-19-33-42(44)49-50-51)43(48-46(36-21-7-1-8-22-36,37-23-9-2-10-24-37)38-25-11-3-12-26-38)35-54-47(39-27-13-4-14-28-39,40-29-15-5-16-30-40)41-31-17-6-18-32-41/h1-34,43,48H,35H2