1-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[1-[(4-ethylphenoxy)methyl]-4-pyrazolyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-(4-nitrophenyl)thiourea Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCN2C=C(C=N2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OCN2C=C(C=N2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3S/c1-2-14-3-9-18(10-4-14)27-13-23-12-16(11-20-23)22-19(28)21-15-5-7-17(8-6-15)24(25)26/h3-12H,2,13H2,1H3,(H2,21,22,28)