1-(3,4-dichlorophenyl)-3-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)urea

Systemtic Name: 1-(3,4-dichlorophenyl)-3-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)urea Openeye Name: 1-(3,4-dichlorophenyl)-3-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)urea CAS Name: 1-(3,4-dichlorophenyl)-3-[3-(prop-2-ynylthio)-1,2,4-triazol-4-yl]urea IUPAC Name: 1-(3,4-dichlorophenyl)-3-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)urea Traditional Name: 1-(3,4-dichlorophenyl)-3-[3-(propargylthio)-1,2,4-triazol-4-yl]urea Formula: C12H9Cl2N5OS MolecularWeight: 342.20376

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NN=CN1NC(=O)NC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C#CCSC1=NN=CN1NC(=O)NC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C12H9Cl2N5OS/c1-2-5-21-12-17-15-7-19(12)18-11(20)16-8-3-4-9(13)10(14)6-8/h1,3-4,6-7H,5H2,(H2,16,18,20)