7-(phenylmethyl)thianthrene-2-carbonitrile

Systemtic Name: 7-(phenylmethyl)thianthrene-2-carbonitrile Openeye Name: 7-benzylthianthrene-2-carbonitrile CAS Name: 7-(phenylmethyl)-2-thianthrenecarbonitrile IUPAC Name: 7-benzylthianthrene-2-carbonitrile Traditional Name: 7-benzylthianthrene-2-carbonitrile Formula: C20H13NS2 MolecularWeight: 331.45392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC3=C(C=C2)SC4=C(S3)C=CC(=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC3=C(C=C2)SC4=C(S3)C=CC(=C4)C#N

InChI

InChI=1S/C20H13NS2/c21-13-16-7-9-18-20(12-16)23-17-8-6-15(11-19(17)22-18)10-14-4-2-1-3-5-14/h1-9,11-12H,10H2