3-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylamino]propanenitrile

Systemtic Name: 3-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylamino]propanenitrile Openeye Name: 3-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methylamino]propanenitrile CAS Name: 3-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methylamino]propanenitrile IUPAC Name: 3-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylamino]propanenitrile Traditional Name: 3-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methylamino]propionitrile Formula: C15H13N3OS MolecularWeight: 283.34822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)CNCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)CNCCC#N

InChI

InChI=1S/C15H13N3OS/c16-8-3-9-17-10-11-6-7-13(19-11)15-18-12-4-1-2-5-14(12)20-15/h1-2,4-7,17H,3,9-10H2