6-azanyl-4-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-azanyl-4-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-amino-4-[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 6-amino-4-[[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-amino-4-[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]sulfanylpyridine-3-carbonitrile Traditional Name: 6-amino-4-[[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]thio]nicotinonitrile Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(CO)N)SC2=CC(=NC=C2C#N)N

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C[C@@H](CO)N)SC2=CC(=NC=C2C#N)N

InChI

InChI=1S/C16H18N4OS/c17-8-12-9-20-16(19)7-15(12)22-14(6-13(18)10-21)11-4-2-1-3-5-11/h1-5,7,9,13-14,21H,6,10,18H2,(H2,19,20)/t13-,14+/m0/s1