[4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methyl carbamimidothioate

Systemtic Name: [4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methyl carbamimidothioate Openeye Name: 2-[[4-[2-(3-nitrophenyl)thiazol-4-yl]phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [4-[2-(3-nitrophenyl)-4-thiazolyl]phenyl]methyl ester IUPAC Name: [4-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]phenyl]methyl carbamimidothioate Traditional Name: 2-[4-[2-(3-nitrophenyl)thiazol-4-yl]benzyl]isothiourea Formula: C17H14N4O2S2 MolecularWeight: 370.44866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=CS2)C3=CC=C(C=C3)CSC(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=CS2)C3=CC=C(C=C3)CSC(=N)N

InChI

InChI=1S/C17H14N4O2S2/c18-17(19)25-9-11-4-6-12(7-5-11)15-10-24-16(20-15)13-2-1-3-14(8-13)21(22)23/h1-8,10H,9H2,(H3,18,19)