1-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]thiourea CAS Name: 1-[3-[(4-chlorophenyl)methylthio]-1,2,4-triazol-4-yl]-3-prop-2-enylthiourea IUPAC Name: 1-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[3-[(4-chlorobenzyl)thio]-1,2,4-triazol-4-yl]thiourea Formula: C13H14ClN5S2 MolecularWeight: 339.86676

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NN1C=NN=C1SCC2=CC=C(C=C2)Cl

Isomeric SMILES

C=CCNC(=S)NN1C=NN=C1SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H14ClN5S2/c1-2-7-15-12(20)18-19-9-16-17-13(19)21-8-10-3-5-11(14)6-4-10/h2-6,9H,1,7-8H2,(H2,15,18,20)