[3-(1,3-benzothiazol-2-yl)propylamino]-(2-sulfanylidenepyridin-3-ylidene)methanolate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)propylamino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Openeye Name: [3-(1,3-benzothiazol-2-yl)propylamino]-(2-thioxo-3-pyridylidene)methanolate CAS Name: [3-(1,3-benzothiazol-2-yl)propylamino]-(2-sulfanylidene-3-pyridinylidene)methanolate IUPAC Name: [3-(1,3-benzothiazol-2-yl)propylamino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Traditional Name: [3-(1,3-benzothiazol-2-yl)propylamino]-(2-thioxo-3-pyridylidene)methanolate Formula: C16H14N3OS2- MolecularWeight: 328.43186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCNC(=C3C=CC=NC3=S)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCNC(=C3C=CC=NC3=S)[O-]

InChI

InChI=1S/C16H15N3OS2/c20-15(11-5-3-10-18-16(11)21)17-9-4-8-14-19-12-6-1-2-7-13(12)22-14/h1-3,5-7,10,17,20H,4,8-9H2/p-1