1-[3-(1-adamantyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-phenyl-thiourea

Systemtic Name: 1-[3-(1-adamantyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-phenyl-thiourea Openeye Name: 1-[3-(1-adamantyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-3-phenyl-thiourea CAS Name: 1-[3-(1-adamantyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-phenylthiourea IUPAC Name: 1-[3-(1-adamantyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-phenylthiourea Traditional Name: 1-[3-(1-adamantyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-3-phenyl-thiourea Formula: C19H23N5S2 MolecularWeight: 385.54942

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NNC(=S)N4NC(=S)NC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NNC(=S)N4NC(=S)NC5=CC=CC=C5

InChI

InChI=1S/C19H23N5S2/c25-17(20-15-4-2-1-3-5-15)23-24-16(21-22-18(24)26)19-9-12-6-13(10-19)8-14(7-12)11-19/h1-5,12-14H,6-11H2,(H,22,26)(H2,20,23,25)