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

Systemtic Name: 1-butyl-3-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiourea Openeye Name: 1-butyl-3-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiourea CAS Name: 1-butyl-3-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiourea IUPAC Name: 1-butyl-3-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiourea Traditional Name: 1-butyl-3-[1-(3,4-dichlorobenzyl)-1,2,4-triazol-3-yl]thiourea Formula: C14H17Cl2N5S MolecularWeight: 358.28928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17Cl2N5S/c1-2-3-6-17-14(22)19-13-18-9-21(20-13)8-10-4-5-11(15)12(16)7-10/h4-5,7,9H,2-3,6,8H2,1H3,(H2,17,19,20,22)