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

Systemtic Name: 1-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(3-chloro-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]thiourea Formula: C11H11ClN4O3S MolecularWeight: 314.74804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11ClN4O3S/c1-2-3-13-11(20)15-14-6-7-4-8(12)5-9(10(7)17)16(18)19/h2,4-6,14H,1,3H2,(H2,13,15,20)