1-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenyl-thiourea

Systemtic Name: 1-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenyl-thiourea Openeye Name: 1-[(3-chloro-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenyl-thiourea CAS Name: 1-[(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-phenylthiourea IUPAC Name: 1-[(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenylthiourea Traditional Name: 1-[(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-phenyl-thiourea Formula: C14H11ClN4O3S MolecularWeight: 350.78014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NNC=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NNC=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H11ClN4O3S/c15-10-6-9(13(20)12(7-10)19(21)22)8-16-18-14(23)17-11-4-2-1-3-5-11/h1-8,16H,(H2,17,18,23)