1-[(5-nitro-2-prop-2-ynoxy-phenyl)methylideneamino]thiourea

Systemtic Name: 1-[(5-nitro-2-prop-2-ynoxy-phenyl)methylideneamino]thiourea Openeye Name: [(5-nitro-2-prop-2-ynoxy-phenyl)methyleneamino]thiourea CAS Name: [(5-nitro-2-prop-2-ynoxyphenyl)methylideneamino]thiourea IUPAC Name: [(5-nitro-2-prop-2-ynoxyphenyl)methylideneamino]thiourea Traditional Name: [(5-nitro-2-propargyloxy-benzylidene)amino]thiourea Formula: C11H10N4O3S MolecularWeight: 278.2871

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1)[N+](=O)[O-])C=NNC(=S)N

Isomeric SMILES

C#CCOC1=C(C=C(C=C1)[N+](=O)[O-])C=NNC(=S)N

InChI

InChI=1S/C11H10N4O3S/c1-2-5-18-10-4-3-9(15(16)17)6-8(10)7-13-14-11(12)19/h1,3-4,6-7H,5H2,(H3,12,14,19)