3-azanyl-2-(phenylmethyl)benzenecarbothioic S-acid

Systemtic Name: 3-azanyl-2-(phenylmethyl)benzenecarbothioic S-acid Openeye Name: 3-amino-2-benzyl-benzenecarbothioic S-acid CAS Name: 3-amino-2-(phenylmethyl)benzenecarbothioic S-acid IUPAC Name: 3-amino-2-benzylbenzenecarbothioic S-acid Traditional Name: 3-amino-2-benzyl-thiobenzoic acid Formula: C14H13NOS MolecularWeight: 243.32412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC=C2N)C(=O)S

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC=C2N)C(=O)S

InChI

InChI=1S/C14H13NOS/c15-13-8-4-7-11(14(16)17)12(13)9-10-5-2-1-3-6-10/h1-8H,9,15H2,(H,16,17)