1-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiourea CAS Name: 1-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-prop-2-enylthiourea IUPAC Name: 1-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[1-(3,4-dichlorobenzyl)-1,2,4-triazol-3-yl]thiourea Formula: C13H13Cl2N5S MolecularWeight: 342.24682

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NC1=NN(C=N1)CC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

C=CCNC(=S)NC1=NN(C=N1)CC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H13Cl2N5S/c1-2-5-16-13(21)18-12-17-8-20(19-12)7-9-3-4-10(14)11(15)6-9/h2-4,6,8H,1,5,7H2,(H2,16,18,19,21)