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

Systemtic Name: 1-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-phenethyl-thiourea Openeye Name: 1-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-phenethyl-thiourea CAS Name: 1-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-phenethylthiourea IUPAC Name: 1-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-phenethylthiourea Traditional Name: 1-[1-(2,4-dichlorobenzyl)-1,2,4-triazol-3-yl]-3-phenethyl-thiourea Formula: C18H17Cl2N5S MolecularWeight: 406.33208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)NC2=NN(C=N2)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)NC2=NN(C=N2)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H17Cl2N5S/c19-15-7-6-14(16(20)10-15)11-25-12-22-17(24-25)23-18(26)21-9-8-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H2,21,23,24,26)