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

Systemtic Name: 4-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C20H20N4S MolecularWeight: 348.4646

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC3=CC=CC=C3S2)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN(C1)C2=NC3=CC=CC=C3S2)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C20H20N4S/c21-14-16-6-8-17(9-7-16)15-23-10-3-11-24(13-12-23)20-22-18-4-1-2-5-19(18)25-20/h1-2,4-9H,3,10-13,15H2