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

Systemtic Name: 1-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-propan-2-yl-thiourea Openeye Name: 1-[(3-chloro-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-isopropyl-thiourea CAS Name: 1-[(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-propan-2-ylthiourea IUPAC Name: 1-[(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-propan-2-ylthiourea Traditional Name: 1-[(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-isopropyl-thiourea Formula: C11H13ClN4O3S MolecularWeight: 316.76392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClN4O3S/c1-6(2)14-11(20)15-13-5-7-3-8(12)4-9(10(7)17)16(18)19/h3-6,13H,1-2H3,(H2,14,15,20)