1-phenyl-3-[4-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]phenyl]thiourea

Systemtic Name: 1-phenyl-3-[4-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]phenyl]thiourea Openeye Name: 1-phenyl-3-[4-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]phenyl]thiourea CAS Name: 1-phenyl-3-[4-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]phenyl]thiourea IUPAC Name: 1-phenyl-3-[4-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]phenyl]thiourea Traditional Name: 1-phenyl-3-[4-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]phenyl]thiourea Formula: C22H19N5OS2 MolecularWeight: 433.54916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCC3=NNC(=S)N3C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCC3=NNC(=S)N3C4=CC=CC=C4

InChI

InChI=1S/C22H19N5OS2/c29-21(23-16-7-3-1-4-8-16)24-17-11-13-19(14-12-17)28-15-20-25-26-22(30)27(20)18-9-5-2-6-10-18/h1-14H,15H2,(H,26,30)(H2,23,24,29)