1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,2,4-triazol-4-yl)thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,2,4-triazol-4-yl)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,2,4-triazol-4-yl)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,2,4-triazol-4-yl)thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,2,4-triazol-4-yl)thiourea Traditional Name: 1-homoveratryl-3-(1,2,4-triazol-4-yl)thiourea Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NN2C=NN=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NN2C=NN=C2)OC

InChI

InChI=1S/C13H17N5O2S/c1-19-11-4-3-10(7-12(11)20-2)5-6-14-13(21)17-18-8-15-16-9-18/h3-4,7-9H,5-6H2,1-2H3,(H2,14,17,21)