3-[[2-(1,3-benzothiazol-2-yl)ethylamino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[2-(1,3-benzothiazol-2-yl)ethylamino]methyl]benzenecarbonitrile Openeye Name: 3-[[2-(1,3-benzothiazol-2-yl)ethylamino]methyl]benzonitrile CAS Name: 3-[[2-(1,3-benzothiazol-2-yl)ethylamino]methyl]benzonitrile IUPAC Name: 3-[[2-(1,3-benzothiazol-2-yl)ethylamino]methyl]benzonitrile Traditional Name: 3-[[2-(1,3-benzothiazol-2-yl)ethylamino]methyl]benzonitrile Formula: C17H15N3S MolecularWeight: 293.3861

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCNCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCNCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H15N3S/c18-11-13-4-3-5-14(10-13)12-19-9-8-17-20-15-6-1-2-7-16(15)21-17/h1-7,10,19H,8-9,12H2