1-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C11H12N4O3S MolecularWeight: 280.30298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NNC=C1C=CC(=O)C(=C1)[N+](=O)[O-]

Isomeric SMILES

C=CCNC(=S)NNC=C1C=CC(=O)C(=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O3S/c1-2-5-12-11(19)14-13-7-8-3-4-10(16)9(6-8)15(17)18/h2-4,6-7,13H,1,5H2,(H2,12,14,19)