1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[4-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)C

InChI

InChI=1S/C20H21N5O3S/c1-13-10-14(2)24(23-13)12-15-4-6-16(7-5-15)21-20(29)22-18-9-8-17(25(26)27)11-19(18)28-3/h4-11H,12H2,1-3H3,(H2,21,22,29)