4-[[2-(1,3-benzothiazol-2-yl)ethylamino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-(1,3-benzothiazol-2-yl)ethylamino]methyl]benzenecarbonitrile Openeye Name: 4-[[2-(1,3-benzothiazol-2-yl)ethylamino]methyl]benzonitrile CAS Name: 4-[[2-(1,3-benzothiazol-2-yl)ethylamino]methyl]benzonitrile IUPAC Name: 4-[[2-(1,3-benzothiazol-2-yl)ethylamino]methyl]benzonitrile Traditional Name: 4-[[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=C(C=C3)C#N

Isomeric SMILES

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

InChI

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