2-(imidazol-1-ylmethyl)-2-[4-(phenylsulfinyl)phenyl]pent-4-ynenitrile

Systemtic Name: 2-(imidazol-1-ylmethyl)-2-[4-(phenylsulfinyl)phenyl]pent-4-ynenitrile Openeye Name: 2-[4-(benzenesulfinyl)phenyl]-2-(imidazol-1-ylmethyl)pent-4-ynenitrile CAS Name: 2-[4-(benzenesulfinyl)phenyl]-2-(1-imidazolylmethyl)-4-pentynenitrile IUPAC Name: 2-[4-(benzenesulfinyl)phenyl]-2-(imidazol-1-ylmethyl)pent-4-ynenitrile Traditional Name: 2-[4-(benzenesulfinyl)phenyl]-2-(imidazol-1-ylmethyl)pent-4-ynenitrile Formula: C21H17N3OS MolecularWeight: 359.44418

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(CN1C=CN=C1)(C#N)C2=CC=C(C=C2)S(=O)C3=CC=CC=C3

Isomeric SMILES

C#CCC(CN1C=CN=C1)(C#N)C2=CC=C(C=C2)S(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H17N3OS/c1-2-12-21(15-22,16-24-14-13-23-17-24)18-8-10-20(11-9-18)26(25)19-6-4-3-5-7-19/h1,3-11,13-14,17H,12,16H2