1-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

Systemtic Name: 1-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)-3-(4-morpholinosulfonylphenyl)thiourea Formula: C15H20N6O3S3 MolecularWeight: 428.5527

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCC1=NNC(=S)N1NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C15H20N6O3S3/c1-2-13-17-18-15(26)21(13)19-14(25)16-11-3-5-12(6-4-11)27(22,23)20-7-9-24-10-8-20/h3-6H,2,7-10H2,1H3,(H,18,26)(H2,16,19,25)