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

Systemtic Name: 1-[3-(1-adamantyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-(4-chlorophenyl)thiourea Openeye Name: 1-[3-(1-adamantyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-3-(4-chlorophenyl)thiourea CAS Name: 1-[3-(1-adamantyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-(4-chlorophenyl)thiourea IUPAC Name: 1-[3-(1-adamantyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-(4-chlorophenyl)thiourea Traditional Name: 1-[3-(1-adamantyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-3-(4-chlorophenyl)thiourea Formula: C19H22ClN5S2 MolecularWeight: 419.99448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN5S2/c20-14-1-3-15(4-2-14)21-17(26)24-25-16(22-23-18(25)27)19-8-11-5-12(9-19)7-13(6-11)10-19/h1-4,11-13H,5-10H2,(H,23,27)(H2,21,24,26)