1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(3-nitrophenyl)thiourea CAS Name: 1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-(1-m-anisyl-3,5-dimethyl-pyrazol-4-yl)-3-(3-nitrophenyl)thiourea Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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