3-azanyl-4-phenoxy-5-prop-2-ynyl-benzenecarbothioic S-acid

Systemtic Name: 3-azanyl-4-phenoxy-5-prop-2-ynyl-benzenecarbothioic S-acid Openeye Name: 3-amino-4-phenoxy-5-prop-2-ynyl-benzenecarbothioic S-acid CAS Name: 3-amino-4-phenoxy-5-prop-2-ynylbenzenecarbothioic S-acid IUPAC Name: 3-amino-4-phenoxy-5-prop-2-ynylbenzenecarbothioic S-acid Traditional Name: 3-amino-4-phenoxy-5-propargyl-thiobenzoic acid Formula: C16H13NO2S MolecularWeight: 283.34492

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC1=C(C(=CC(=C1)C(=O)S)N)OC2=CC=CC=C2

Isomeric SMILES

C#CCC1=C(C(=CC(=C1)C(=O)S)N)OC2=CC=CC=C2

InChI

InChI=1S/C16H13NO2S/c1-2-6-11-9-12(16(18)20)10-14(17)15(11)19-13-7-4-3-5-8-13/h1,3-5,7-10H,6,17H2,(H,18,20)