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

Systemtic Name: 1-cyclopropyl-1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-cyclopropyl-1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]thiourea CAS Name: 1-cyclopropyl-1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-cyclopropyl-1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]thiourea Traditional Name: 3-benzyl-1-cyclopropyl-1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]thiourea Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1CC1N(CC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C20H19N5O3S/c26-25(27)17-8-4-7-15(11-17)19-23-22-18(28-19)13-24(16-9-10-16)20(29)21-12-14-5-2-1-3-6-14/h1-8,11,16H,9-10,12-13H2,(H,21,29)