1-[5-morpholin-4-ylsulfonyl-2-(1,2,4-triazol-1-yl)phenyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[5-morpholin-4-ylsulfonyl-2-(1,2,4-triazol-1-yl)phenyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[5-morpholinosulfonyl-2-(1,2,4-triazol-1-yl)phenyl]thiourea CAS Name: 1-[5-(4-morpholinylsulfonyl)-2-(1,2,4-triazol-1-yl)phenyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[5-morpholin-4-ylsulfonyl-2-(1,2,4-triazol-1-yl)phenyl]thiourea Traditional Name: 1-benzyl-3-[5-morpholinosulfonyl-2-(1,2,4-triazol-1-yl)phenyl]thiourea Formula: C20H22N6O3S2 MolecularWeight: 458.55708

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)N3C=NC=N3)NC(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)N3C=NC=N3)NC(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C20H22N6O3S2/c27-31(28,25-8-10-29-11-9-25)17-6-7-19(26-15-21-14-23-26)18(12-17)24-20(30)22-13-16-4-2-1-3-5-16/h1-7,12,14-15H,8-11,13H2,(H2,22,24,30)