N,N-bis(phenylmethyl)carbamodithioate; neodymium(3+)

Systemtic Name: N,N-bis(phenylmethyl)carbamodithioate; neodymium(3+) Openeye Name: N,N-dibenzylcarbamodithioate; neodymium(3+) CAS Name: N,N-bis(phenylmethyl)carbamodithioate; neodymium(3+) IUPAC Name: N,N-dibenzylcarbamodithioate; neodymium(3+) Traditional Name: N,N-dibenzylcarbamodithioate; neodymium(3+) Formula: C45H42N3NdS6 MolecularWeight: 961.46508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)[S-].C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)[S-].C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)[S-].[Nd+3]

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)[S-].C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)[S-].C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=S)[S-].[Nd+3]

InChI

InChI=1S/3C15H15NS2.Nd/c3*17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;/h3*1-10H,11-12H2,(H,17,18);/q;;;+3/p-3