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

Systemtic Name: 1-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiourea CAS Name: 1-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-prop-2-enylthiourea IUPAC Name: 1-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[1-(2-fluorobenzyl)-1,2,4-triazol-3-yl]thiourea Formula: C13H14FN5S MolecularWeight: 291.347163

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NC1=NN(C=N1)CC2=CC=CC=C2F

Isomeric SMILES

C=CCNC(=S)NC1=NN(C=N1)CC2=CC=CC=C2F

InChI

InChI=1S/C13H14FN5S/c1-2-7-15-13(20)17-12-16-9-19(18-12)8-10-5-3-4-6-11(10)14/h2-6,9H,1,7-8H2,(H2,15,17,18,20)