1-azanyl-3-[(E)-[2-(3-oxidanylidene-1H-2-benzofuran-1-yl)-1-pyridin-3-yl-ethylidene]amino]thiourea

Systemtic Name: 1-azanyl-3-[(E)-[2-(3-oxidanylidene-1H-2-benzofuran-1-yl)-1-pyridin-3-yl-ethylidene]amino]thiourea Openeye Name: 1-amino-3-[(E)-[2-(3-oxo-1H-isobenzofuran-1-yl)-1-(3-pyridyl)ethylidene]amino]thiourea CAS Name: 1-amino-3-[(E)-[2-(3-oxo-1H-isobenzofuran-1-yl)-1-(3-pyridinyl)ethylidene]amino]thiourea IUPAC Name: 1-amino-3-[(E)-[2-(3-oxo-1H-2-benzofuran-1-yl)-1-pyridin-3-ylethylidene]amino]thiourea Traditional Name: 1-amino-3-[(E)-[2-phthalidyl-1-(3-pyridyl)ethylidene]amino]thiourea Formula: C16H15N5O2S MolecularWeight: 341.3876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(OC2=O)CC(=NNC(=S)NN)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(OC2=O)C/C(=N\NC(=S)NN)/C3=CN=CC=C3

InChI

InChI=1S/C16H15N5O2S/c17-19-16(24)21-20-13(10-4-3-7-18-9-10)8-14-11-5-1-2-6-12(11)15(22)23-14/h1-7,9,14H,8,17H2,(H2,19,21,24)/b20-13+