2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(phenylmethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(phenylmethyl)pyridine-3-carbonitrile Openeye Name: 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]pyridine-3-carbonitrile CAS Name: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-5-(phenylmethyl)-3-pyridinecarbonitrile IUPAC Name: 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]pyridine-3-carbonitrile Traditional Name: 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]nicotinonitrile Formula: C20H21N5S MolecularWeight: 363.47924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC2=NC=C(C=C2C#N)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=NC=C(C=C2C#N)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N5S/c1-15-19(25-14-24-15)13-26-8-7-22-20-18(11-21)10-17(12-23-20)9-16-5-3-2-4-6-16/h2-6,10,12,14H,7-9,13H2,1H3,(H,22,23)(H,24,25)