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

Systemtic Name: 3-butyl-1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-propan-2-yl-thiourea Openeye Name: 3-butyl-1-isopropyl-1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]thiourea CAS Name: 3-butyl-1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-propan-2-ylthiourea IUPAC Name: 3-butyl-1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-propan-2-ylthiourea Traditional Name: 3-butyl-1-isopropyl-1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]thiourea Formula: C17H23N5O3S MolecularWeight: 377.46122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O3S/c1-4-5-9-18-17(26)21(12(2)3)11-15-19-20-16(25-15)13-7-6-8-14(10-13)22(23)24/h6-8,10,12H,4-5,9,11H2,1-3H3,(H,18,26)