N,N-bis(benzotriazol-1-ylmethyl)-2-phenylsulfanyl-ethanamine

Systemtic Name: N,N-bis(benzotriazol-1-ylmethyl)-2-phenylsulfanyl-ethanamine Openeye Name: N,N-bis(benzotriazol-1-ylmethyl)-2-phenylsulfanyl-ethanamine CAS Name: N,N-bis(1-benzotriazolylmethyl)-2-(phenylthio)ethanamine IUPAC Name: N,N-bis(benzotriazol-1-ylmethyl)-2-phenylsulfanylethanamine Traditional Name: bis(benzotriazol-1-ylmethyl)-[2-(phenylthio)ethyl]amine Formula: C22H21N7S MolecularWeight: 415.51404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N7S/c1-2-8-18(9-3-1)30-15-14-27(16-28-21-12-6-4-10-19(21)23-25-28)17-29-22-13-7-5-11-20(22)24-26-29/h1-13H,14-17H2