2,4-bis[2-(4-chlorophenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole

Systemtic Name: 2,4-bis[2-(4-chlorophenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole Openeye Name: 2,4-bis[2-(4-chlorophenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole CAS Name: 2,4-bis[2-(4-chlorophenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole IUPAC Name: 2,4-bis[2-(4-chlorophenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole Traditional Name: 2,4-bis[2-(4-chlorophenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole Formula: C30H19Cl2NS4 MolecularWeight: 592.64456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)SC(S2)(C3=CC=C(C=C3)Cl)C4=CC(=CN4)C5(SC6=CC=CC=C6S5)C7=CC=C(C=C7)Cl

Isomeric SMILES

C1=CC=C2C(=C1)SC(S2)(C3=CC=C(C=C3)Cl)C4=CC(=CN4)C5(SC6=CC=CC=C6S5)C7=CC=C(C=C7)Cl

InChI

InChI=1S/C30H19Cl2NS4/c31-22-13-9-19(10-14-22)29(34-24-5-1-2-6-25(24)35-29)21-17-28(33-18-21)30(20-11-15-23(32)16-12-20)36-26-7-3-4-8-27(26)37-30/h1-18,33H