4-[3-(1,3-benzothiazol-2-ylmethylamino)-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-(1,3-benzothiazol-2-ylmethylamino)-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-(1,3-benzothiazol-2-ylmethylamino)-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-(1,3-benzothiazol-2-ylmethylamino)-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-(1,3-benzothiazol-2-ylmethylamino)-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-(1,3-benzothiazol-2-ylmethylamino)-2-hydroxy-propoxy]benzonitrile Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CNCC(COC3=CC=C(C=C3)C#N)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CNCC(COC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C18H17N3O2S/c19-9-13-5-7-15(8-6-13)23-12-14(22)10-20-11-18-21-16-3-1-2-4-17(16)24-18/h1-8,14,20,22H,10-12H2