1-(1-adamantyl)-3-[4-(3-ethoxy-1,2,4-triazol-1-yl)phenyl]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[4-(3-ethoxy-1,2,4-triazol-1-yl)phenyl]thiourea Openeye Name: 1-(1-adamantyl)-3-[4-(3-ethoxy-1,2,4-triazol-1-yl)phenyl]thiourea CAS Name: 1-(1-adamantyl)-3-[4-(3-ethoxy-1,2,4-triazol-1-yl)phenyl]thiourea IUPAC Name: 1-(1-adamantyl)-3-[4-(3-ethoxy-1,2,4-triazol-1-yl)phenyl]thiourea Traditional Name: 1-(1-adamantyl)-3-[4-(3-ethoxy-1,2,4-triazol-1-yl)phenyl]thiourea Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C=N1)C2=CC=C(C=C2)NC(=S)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=NN(C=N1)C2=CC=C(C=C2)NC(=S)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H27N5OS/c1-2-27-19-22-13-26(25-19)18-5-3-17(4-6-18)23-20(28)24-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,13-16H,2,7-12H2,1H3,(H2,23,24,28)