(3S,6S)-2-azanylidene-4-cyclopropyl-6-(4-iodophenyl)cyclohex-4-ene-1,1,3-tricarbonitrile

Systemtic Name: (3S,6S)-2-azanylidene-4-cyclopropyl-6-(4-iodophenyl)cyclohex-4-ene-1,1,3-tricarbonitrile Openeye Name: (3S,6S)-4-cyclopropyl-2-imino-6-(4-iodophenyl)cyclohex-4-ene-1,1,3-tricarbonitrile CAS Name: (3S,6S)-4-cyclopropyl-2-imino-6-(4-iodophenyl)cyclohex-4-ene-1,1,3-tricarbonitrile IUPAC Name: (3S,6S)-4-cyclopropyl-2-imino-6-(4-iodophenyl)cyclohex-4-ene-1,1,3-tricarbonitrile Traditional Name: (3S,6S)-4-cyclopropyl-2-imino-6-(4-iodophenyl)cyclohex-4-ene-1,1,3-tricarbonitrile Formula: C18H13IN4 MolecularWeight: 412.22709

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(C(C(=N)C2C#N)(C#N)C#N)C3=CC=C(C=C3)I

Isomeric SMILES

C1CC1C2=C[C@H](C(C(=N)[C@H]2C#N)(C#N)C#N)C3=CC=C(C=C3)I

InChI

InChI=1S/C18H13IN4/c19-13-5-3-12(4-6-13)16-7-14(11-1-2-11)15(8-20)17(23)18(16,9-21)10-22/h3-7,11,15-16,23H,1-2H2/t15-,16-/m0/s1