3-[5-[(phenylmethyl)amino]-3H-1,3,4-thiadiazol-2-ylidene]chromene-2,7-dione

Systemtic Name: 3-[5-[(phenylmethyl)amino]-3H-1,3,4-thiadiazol-2-ylidene]chromene-2,7-dione Openeye Name: 3-[5-(benzylamino)-3H-1,3,4-thiadiazol-2-ylidene]chromene-2,7-dione CAS Name: 3-[5-[(phenylmethyl)amino]-3H-1,3,4-thiadiazol-2-ylidene]-1-benzopyran-2,7-dione IUPAC Name: 3-[5-(benzylamino)-3H-1,3,4-thiadiazol-2-ylidene]chromene-2,7-dione Traditional Name: 3-[5-(benzylamino)-3H-1,3,4-thiadiazol-2-ylidene]chromene-2,7-quinone Formula: C18H13N3O3S MolecularWeight: 351.37912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NNC(=C3C=C4C=CC(=O)C=C4OC3=O)S2

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NNC(=C3C=C4C=CC(=O)C=C4OC3=O)S2

InChI

InChI=1S/C18H13N3O3S/c22-13-7-6-12-8-14(17(23)24-15(12)9-13)16-20-21-18(25-16)19-10-11-4-2-1-3-5-11/h1-9,20H,10H2,(H,19,21)