N,N-bis(benzotriazol-1-ylmethyl)-3-(4-methoxyphenyl)sulfanyl-propan-1-amine

Systemtic Name: N,N-bis(benzotriazol-1-ylmethyl)-3-(4-methoxyphenyl)sulfanyl-propan-1-amine Openeye Name: N,N-bis(benzotriazol-1-ylmethyl)-3-(4-methoxyphenyl)sulfanyl-propan-1-amine CAS Name: N,N-bis(1-benzotriazolylmethyl)-3-[(4-methoxyphenyl)thio]-1-propanamine IUPAC Name: N,N-bis(benzotriazol-1-ylmethyl)-3-(4-methoxyphenyl)sulfanylpropan-1-amine Traditional Name: bis(benzotriazol-1-ylmethyl)-[3-[(4-methoxyphenyl)thio]propyl]amine Formula: C24H25N7OS MolecularWeight: 459.5666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCN(CN2C3=CC=CC=C3N=N2)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

COC1=CC=C(C=C1)SCCCN(CN2C3=CC=CC=C3N=N2)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C24H25N7OS/c1-32-19-11-13-20(14-12-19)33-16-6-15-29(17-30-23-9-4-2-7-21(23)25-27-30)18-31-24-10-5-3-8-22(24)26-28-31/h2-5,7-14H,6,15-18H2,1H3