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

Systemtic Name: 1-(4-chlorophenyl)-3-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)urea Openeye Name: 1-(4-chlorophenyl)-3-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)urea CAS Name: 1-(4-chlorophenyl)-3-[3-(prop-2-ynylthio)-1,2,4-triazol-4-yl]urea IUPAC Name: 1-(4-chlorophenyl)-3-(3-prop-2-ynylsulfanyl-1,2,4-triazol-4-yl)urea Traditional Name: 1-(4-chlorophenyl)-3-[3-(propargylthio)-1,2,4-triazol-4-yl]urea Formula: C12H10ClN5OS MolecularWeight: 307.7587

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClN5OS/c1-2-7-20-12-16-14-8-18(12)17-11(19)15-10-5-3-9(13)4-6-10/h1,3-6,8H,7H2,(H2,15,17,19)