1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(3-nitrophenyl)thiourea CAS Name: 1-[4-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(3-nitrophenyl)thiourea Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O2S/c1-13-10-14(2)23(22-13)12-15-6-8-16(9-7-15)20-19(27)21-17-4-3-5-18(11-17)24(25)26/h3-11H,12H2,1-2H3,(H2,20,21,27)