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

Systemtic Name: 1-azanyl-3-[(Z)-[1-(3-nitrophenyl)-2-(3-oxidanylidene-1H-2-benzofuran-1-yl)ethylidene]amino]thiourea Openeye Name: 1-amino-3-[(Z)-[1-(3-nitrophenyl)-2-(3-oxo-1H-isobenzofuran-1-yl)ethylidene]amino]thiourea CAS Name: 1-amino-3-[(Z)-[1-(3-nitrophenyl)-2-(3-oxo-1H-isobenzofuran-1-yl)ethylidene]amino]thiourea IUPAC Name: 1-amino-3-[(Z)-[1-(3-nitrophenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)ethylidene]amino]thiourea Traditional Name: 1-amino-3-[(Z)-[1-(3-nitrophenyl)-2-phthalidyl-ethylidene]amino]thiourea Formula: C17H15N5O4S MolecularWeight: 385.3971

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(OC2=O)CC(=NNC(=S)NN)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(OC2=O)C/C(=N/NC(=S)NN)/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O4S/c18-19-17(27)21-20-14(10-4-3-5-11(8-10)22(24)25)9-15-12-6-1-2-7-13(12)16(23)26-15/h1-8,15H,9,18H2,(H2,19,21,27)/b20-14-