4-[3-(4-iodophenyl)-2-sulfanylidene-1H-imidazol-5-yl]benzenecarbonitrile

Systemtic Name: 4-[3-(4-iodophenyl)-2-sulfanylidene-1H-imidazol-5-yl]benzenecarbonitrile Openeye Name: 4-[3-(4-iodophenyl)-2-thioxo-1H-imidazol-5-yl]benzonitrile CAS Name: 4-[3-(4-iodophenyl)-2-sulfanylidene-1H-imidazol-5-yl]benzonitrile IUPAC Name: 4-[3-(4-iodophenyl)-2-sulfanylidene-1H-imidazol-5-yl]benzonitrile Traditional Name: 4-[1-(4-iodophenyl)-2-thioxo-4-imidazolin-4-yl]benzonitrile Formula: C16H10IN3S MolecularWeight: 403.24017

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=CN(C(=S)N2)C3=CC=C(C=C3)I

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=CN(C(=S)N2)C3=CC=C(C=C3)I

InChI

InChI=1S/C16H10IN3S/c17-13-5-7-14(8-6-13)20-10-15(19-16(20)21)12-3-1-11(9-18)2-4-12/h1-8,10H,(H,19,21)