1-[bis(4-isothiocyanatophenyl)methyl]-4-isothiocyanato-benzene

Systemtic Name: 1-[bis(4-isothiocyanatophenyl)methyl]-4-isothiocyanato-benzene Openeye Name: 1-[bis(4-isothiocyanatophenyl)methyl]-4-isothiocyanato-benzene CAS Name: 1-[bis(4-isothiocyanatophenyl)methyl]-4-isothiocyanatobenzene IUPAC Name: 1-[bis(4-isothiocyanatophenyl)methyl]-4-isothiocyanatobenzene Traditional Name: 1-[bis(4-isothiocyanatophenyl)methyl]-4-isothiocyanato-benzene Formula: C22H13N3S3 MolecularWeight: 415.55372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C2=CC=C(C=C2)N=C=S)C3=CC=C(C=C3)N=C=S)N=C=S

Isomeric SMILES

C1=CC(=CC=C1C(C2=CC=C(C=C2)N=C=S)C3=CC=C(C=C3)N=C=S)N=C=S

InChI

InChI=1S/C22H13N3S3/c26-13-23-19-7-1-16(2-8-19)22(17-3-9-20(10-4-17)24-14-27)18-5-11-21(12-6-18)25-15-28/h1-12,22H