10-(hydroxymethyl)-5,6-dihydrobenzo[b][1]benzothiepine-2-carbonitrile

Systemtic Name: 10-(hydroxymethyl)-5,6-dihydrobenzo[b][1]benzothiepine-2-carbonitrile Openeye Name: 10-(hydroxymethyl)-5,6-dihydrobenzo[b][1]benzothiepine-2-carbonitrile CAS Name: 10-(hydroxymethyl)-5,6-dihydrobenzo[b][1]benzothiepin-2-carbonitrile IUPAC Name: 10-(hydroxymethyl)-5,6-dihydrobenzo[b][1]benzothiepine-2-carbonitrile Traditional Name: 10-methylol-5,6-dihydrobenzo[b][1]benzothiepin-2-carbonitrile Formula: C16H13NOS MolecularWeight: 267.34552

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)C#N)SC3=C1C=CC=C3CO

Isomeric SMILES

C1CC2=C(C=C(C=C2)C#N)SC3=C1C=CC=C3CO

InChI

InChI=1S/C16H13NOS/c17-9-11-4-5-12-6-7-13-2-1-3-14(10-18)16(13)19-15(12)8-11/h1-5,8,18H,6-7,10H2