4-[[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]methylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]methylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]methyleneamino]-3-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[[2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-3-pyrrolyl]methylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]methylideneamino]-3-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]methyleneamino]-3-ethyl-1H-1,2,4-triazole-5-thione Formula: C21H26N6O3S2 MolecularWeight: 474.59954

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1N=CC2=C(N(C(=C2)C)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C

Isomeric SMILES

CCC1=NNC(=S)N1N=CC2=C(N(C(=C2)C)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C

InChI

InChI=1S/C21H26N6O3S2/c1-4-20-23-24-21(31)27(20)22-14-17-12-15(2)26(16(17)3)18-6-5-7-19(13-18)32(28,29)25-8-10-30-11-9-25/h5-7,12-14H,4,8-11H2,1-3H3,(H,24,31)