1-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methyleneamino]thiourea CAS Name: 1-[(E)-[4-methoxy-3-[(4-nitro-1-pyrazolyl)methyl]phenyl]methylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]benzylidene]amino]thiourea Formula: C16H18N6O3S MolecularWeight: 374.41752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=S)NCC=C)CN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=S)NCC=C)CN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O3S/c1-3-6-17-16(26)20-18-8-12-4-5-15(25-2)13(7-12)10-21-11-14(9-19-21)22(23)24/h3-5,7-9,11H,1,6,10H2,2H3,(H2,17,20,26)/b18-8+