2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-4-[(phenylmethyl)amino]pyridine-3-carbonitrile

Systemtic Name: 2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-4-[(phenylmethyl)amino]pyridine-3-carbonitrile Openeye Name: 4-(benzylamino)-2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-pyridine-3-carbonitrile CAS Name: 2-[(3-methyl-5-nitro-4-imidazolyl)thio]-4-[(phenylmethyl)amino]-3-pyridinecarbonitrile IUPAC Name: 4-(benzylamino)-2-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyridine-3-carbonitrile Traditional Name: 4-(benzylamino)-2-[(3-methyl-5-nitro-imidazol-4-yl)thio]nicotinonitrile Formula: C17H14N6O2S MolecularWeight: 366.39706

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=NC=CC(=C2C#N)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2=NC=CC(=C2C#N)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O2S/c1-22-11-21-15(23(24)25)17(22)26-16-13(9-18)14(7-8-19-16)20-10-12-5-3-2-4-6-12/h2-8,11H,10H2,1H3,(H,19,20)