1-phenyl-3-[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiourea

Systemtic Name: 1-phenyl-3-[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiourea Openeye Name: 1-phenyl-3-[[2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiourea CAS Name: 1-[[1-oxo-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]-3-phenylthiourea IUPAC Name: 1-phenyl-3-[[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiourea Traditional Name: 1-phenyl-3-[[2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]thiourea Formula: C22H19N7OS2 MolecularWeight: 461.56256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C22H19N7OS2/c30-19(25-27-21(31)24-17-9-3-1-4-10-17)15-32-22-28-26-20(16-8-7-13-23-14-16)29(22)18-11-5-2-6-12-18/h1-14H,15H2,(H,25,30)(H2,24,27,31)