2-[3-[2-[(4-azanyl-1-oxidanylidene-1,2,5-thiadiazol-3-yl)amino]ethylamino]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 2-[3-[2-[(4-azanyl-1-oxidanylidene-1,2,5-thiadiazol-3-yl)amino]ethylamino]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 2-[3-[2-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]ethylamino]-2-hydroxy-propoxy]benzonitrile CAS Name: 2-[3-[2-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]ethylamino]-2-hydroxypropoxy]benzonitrile IUPAC Name: 2-[3-[2-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]ethylamino]-2-hydroxypropoxy]benzonitrile Traditional Name: 2-[3-[2-[(4-amino-1-keto-1,2,5-thiadiazol-3-yl)amino]ethylamino]-2-hydroxy-propoxy]benzonitrile Formula: C14H18N6O3S MolecularWeight: 350.39612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)OCC(CNCCNC2=NS(=O)N=C2N)O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)OCC(CNCCNC2=NS(=O)N=C2N)O

InChI

InChI=1S/C14H18N6O3S/c15-7-10-3-1-2-4-12(10)23-9-11(21)8-17-5-6-18-14-13(16)19-24(22)20-14/h1-4,11,17,21H,5-6,8-9H2,(H2,16,19)(H,18,20)