3-butyl-1-methyl-1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiourea

Systemtic Name: 3-butyl-1-methyl-1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiourea Openeye Name: 3-butyl-1-methyl-1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiourea CAS Name: 3-butyl-1-methyl-1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiourea IUPAC Name: 3-butyl-1-methyl-1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiourea Traditional Name: 3-butyl-1-methyl-1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiourea Formula: C16H23N5S MolecularWeight: 317.45232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(C)C(C)C1=CC=C(C=C1)N2C=NC=N2

Isomeric SMILES

CCCCNC(=S)N(C)[C@H](C)C1=CC=C(C=C1)N2C=NC=N2

InChI

InChI=1S/C16H23N5S/c1-4-5-10-18-16(22)20(3)13(2)14-6-8-15(9-7-14)21-12-17-11-19-21/h6-9,11-13H,4-5,10H2,1-3H3,(H,18,22)/t13-/m1/s1