2-phenylethanoate; (2E)-2-(3H-1,3,4-thiadiazol-2-ylidene)thiophene-3-thione

Systemtic Name: 2-phenylethanoate; (2E)-2-(3H-1,3,4-thiadiazol-2-ylidene)thiophene-3-thione Openeye Name: 2-phenylacetate; (2E)-2-(3H-1,3,4-thiadiazol-2-ylidene)thiophene-3-thione CAS Name: 2-phenylacetate; (2E)-2-(3H-1,3,4-thiadiazol-2-ylidene)-3-thiophenethione IUPAC Name: 2-phenylacetate; (2E)-2-(3H-1,3,4-thiadiazol-2-ylidene)thiophene-3-thione Traditional Name: 2-phenylacetate; (2E)-2-(3H-1,3,4-thiadiazol-2-ylidene)thiophene-3-thione Formula: C14H11N2O2S3- MolecularWeight: 335.44434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)[O-].C1=CSC(=C2NN=CS2)C1=S

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)[O-].C1=CS/C(=C/2\NN=CS2)/C1=S

InChI

InChI=1S/C8H8O2.C6H4N2S3/c9-8(10)6-7-4-2-1-3-5-7;9-4-1-2-10-5(4)6-8-7-3-11-6/h1-5H,6H2,(H,9,10);1-3,8H/p-1/b;6-5+