1-cyclopropyl-3-(3-methylsulfanylpropyl)-1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]thiourea

Systemtic Name: 1-cyclopropyl-3-(3-methylsulfanylpropyl)-1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]thiourea Openeye Name: 1-cyclopropyl-3-(3-methylsulfanylpropyl)-1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]thiourea CAS Name: 1-cyclopropyl-3-[3-(methylthio)propyl]-1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]thiourea IUPAC Name: 1-cyclopropyl-3-(3-methylsulfanylpropyl)-1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]thiourea Traditional Name: 1-cyclopropyl-3-[3-(methylthio)propyl]-1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]thiourea Formula: C17H21N5O3S2 MolecularWeight: 407.51034

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)N(CC1=NN=C(O1)C2=CC(=CC=C2)[N+](=O)[O-])C3CC3

Isomeric SMILES

CSCCCNC(=S)N(CC1=NN=C(O1)C2=CC(=CC=C2)[N+](=O)[O-])C3CC3

InChI

InChI=1S/C17H21N5O3S2/c1-27-9-3-8-18-17(26)21(13-6-7-13)11-15-19-20-16(25-15)12-4-2-5-14(10-12)22(23)24/h2,4-5,10,13H,3,6-9,11H2,1H3,(H,18,26)