1-azanyl-3-[[1-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-1,2,3-triazol-4-yl]methyl]thiourea

Systemtic Name: 1-azanyl-3-[[1-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)-1,2,3-triazol-4-yl]methyl]thiourea Openeye Name: 1-amino-3-[[1-(3-fluoro-4-thiomorpholino-phenyl)triazol-4-yl]methyl]thiourea CAS Name: 1-amino-3-[[1-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4-triazolyl]methyl]thiourea IUPAC Name: 1-amino-3-[[1-(3-fluoro-4-thiomorpholin-4-ylphenyl)triazol-4-yl]methyl]thiourea Traditional Name: 1-amino-3-[[1-(3-fluoro-4-thiomorpholino-phenyl)triazol-4-yl]methyl]thiourea Formula: C14H18FN7S2 MolecularWeight: 367.468023

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=C(C=C(C=C2)N3C=C(N=N3)CNC(=S)NN)F

Isomeric SMILES

C1CSCCN1C2=C(C=C(C=C2)N3C=C(N=N3)CNC(=S)NN)F

InChI

InChI=1S/C14H18FN7S2/c15-12-7-11(1-2-13(12)21-3-5-24-6-4-21)22-9-10(19-20-22)8-17-14(23)18-16/h1-2,7,9H,3-6,8,16H2,(H2,17,18,23)