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

Systemtic Name: 1-[5-morpholin-4-ylsulfonyl-2-(1,2,4-triazol-1-yl)phenyl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-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-prop-2-enylthiourea IUPAC Name: 1-[5-morpholin-4-ylsulfonyl-2-(1,2,4-triazol-1-yl)phenyl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[5-morpholinosulfonyl-2-(1,2,4-triazol-1-yl)phenyl]thiourea Formula: C16H20N6O3S2 MolecularWeight: 408.4984

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3C=NC=N3

Isomeric SMILES

C=CCNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3C=NC=N3

InChI

InChI=1S/C16H20N6O3S2/c1-2-5-18-16(26)20-14-10-13(3-4-15(14)22-12-17-11-19-22)27(23,24)21-6-8-25-9-7-21/h2-4,10-12H,1,5-9H2,(H2,18,20,26)