(3S,4S,5R)-2-azanylidene-5-(phenylcarbonyl)-4-pyridin-3-yl-thiolane-3-carbonitrile

Systemtic Name: (3S,4S,5R)-2-azanylidene-5-(phenylcarbonyl)-4-pyridin-3-yl-thiolane-3-carbonitrile Openeye Name: (3S,4S,5R)-5-benzoyl-2-imino-4-(3-pyridyl)tetrahydrothiophene-3-carbonitrile CAS Name: (3S,4S,5R)-5-benzoyl-2-imino-4-(3-pyridinyl)-3-thiolanecarbonitrile IUPAC Name: (3S,4S,5R)-5-benzoyl-2-imino-4-pyridin-3-ylthiolane-3-carbonitrile Traditional Name: (3S,4S,5R)-5-benzoyl-2-imino-4-(3-pyridyl)tetrahydrothiophene-3-carbonitrile Formula: C17H13N3OS MolecularWeight: 307.36962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2C(C(C(=N)S2)C#N)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)[C@H]2[C@@H]([C@H](C(=N)S2)C#N)C3=CN=CC=C3

InChI

InChI=1S/C17H13N3OS/c18-9-13-14(12-7-4-8-20-10-12)16(22-17(13)19)15(21)11-5-2-1-3-6-11/h1-8,10,13-14,16,19H/t13-,14-,16-/m1/s1