1-[(E)-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methylideneamino]thiourea Openeye Name: [(E)-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methyleneamino]thiourea CAS Name: [(E)-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-pyrrolyl]methylideneamino]thiourea IUPAC Name: [(E)-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methylideneamino]thiourea Traditional Name: [(E)-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]methyleneamino]thiourea Formula: C14H13N5O4S MolecularWeight: 347.34912

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CN3C=CC=C3C=NNC(=S)N)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CN3C=CC=C3/C=N/NC(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O4S/c15-14(24)17-16-6-10-2-1-3-18(10)7-9-4-12-13(23-8-22-12)5-11(9)19(20)21/h1-6H,7-8H2,(H3,15,17,24)/b16-6+