1-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[1-(1-naphthylmethyl)pyrazol-4-yl]-3-(3-nitrophenyl)thiourea CAS Name: 1-[1-(1-naphthalenylmethyl)-4-pyrazolyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[1-(1-naphthylmethyl)pyrazol-4-yl]-3-(3-nitrophenyl)thiourea Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CN3C=C(C=N3)NC(=S)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CN3C=C(C=N3)NC(=S)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O2S/c27-26(28)19-9-4-8-17(11-19)23-21(29)24-18-12-22-25(14-18)13-16-7-3-6-15-5-1-2-10-20(15)16/h1-12,14H,13H2,(H2,23,24,29)