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

Systemtic Name: 1-cyclohexyl-3-[4-(4-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]thiourea Openeye Name: 1-cyclohexyl-3-[4-(4-cyclohexyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea CAS Name: 1-cyclohexyl-3-[4-(4-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]thiourea IUPAC Name: 1-cyclohexyl-3-[4-(4-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]thiourea Traditional Name: 1-cyclohexyl-3-[4-(4-cyclohexyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea Formula: C21H29N5S2 MolecularWeight: 415.61846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NC2=CC=C(C=C2)C3=NNC(=S)N3C4CCCCC4

Isomeric SMILES

C1CCC(CC1)NC(=S)NC2=CC=C(C=C2)C3=NNC(=S)N3C4CCCCC4

InChI

InChI=1S/C21H29N5S2/c27-20(22-16-7-3-1-4-8-16)23-17-13-11-15(12-14-17)19-24-25-21(28)26(19)18-9-5-2-6-10-18/h11-14,16,18H,1-10H2,(H,25,28)(H2,22,23,27)